Chemical Compound

(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid

CAS Registry Number 17650-98-5
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(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid 结构式
Primary record

(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid

库存
9,198 克
纯度
98.9 %
CAS
17650-98-5

化合物标识与属性

CAS
17650-98-5
PubChem CID
16129675
SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

名称与同义词

  • Caerulein
  • Ceruletide
  • Cerulein
  • Ceruletida
  • Ceruletidum
  • 17650-98-5
  • Ceosunin
  • Ceruletid
  • Tymtran
  • Ceruletidum [INN-Latin]
  • Ceruletida [INN-Spanish]
  • Caerulein, sulfated
  • Caerulein 1.1
  • Ceruletide diethylamine
  • Caerulein triammonium
  • ceruletide diethylamide
  • Ceruletide (Standard)
  • Ceruletide (USAN/INN)
  • Ceruletide [USAN:INN:BAN]
  • Caerulein (>85%)
  • Caerulein (~85%)
  • CERULETIDE [MI]
  • CERULETIDE [INN]
  • RefChem:575228
  • CCRIS 3063
  • CERULETIDE [USAN]
  • Caerulein diethylamine salt
  • D0Y9TS
  • CERULETIDE [MART.]
  • CERULETIDE [WHO-DD]
  • SCHEMBL29520
  • DTXSID8040434
  • CHEBI:59219
  • Ceruletide [USAN:BAN:INN]
  • MFCD00076478
  • GTPL7589
  • orb1308465
  • UNII-888Y08971B
  • CHEMBL1201355
  • DTXCID6020434
  • C58H73N13O21S2
  • HY-A0190R
  • V04CC04
  • YRALAIOMGQZKOW-HYAOXDFASA-N
  • GLXC-23171
  • HY-A0190
  • Pyr-QD-Tyr(SO3H)-TGWMDF-NH2
  • EBC-27555
  • FI6934
  • 888Y08971B
  • AKOS030529560
  • BAT-010764
  • caerulein compd. with N-ethylethanamine
  • CS-5876
  • DB00403
  • FI 6934
  • FI-6934
  • J3.143G
  • AS-56061
  • BP-43726
  • FC108931
  • LS-48549
  • SC-20822
  • C58-H73-N13-O21-S2
  • 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide
  • NS00004791
  • C73362
  • D03442
  • A938563
  • EN300-23248418
  • 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen sulfate) (ester)
  • Q5065299
  • pGlu-Gln-Asp-O-Sulfo-Tyr-Thr-Gly-Trp-Met-Asp-Phe-NH2
  • pGlu-Gln-Asp-Tyr(SO3H)-Thr-Gly-Trp-Met-Asp-Phe-NH2
  • (3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
  • (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
  • pGlu-Gln-alphaAsp-O-Sulfo-Tyr-Thr-Gly-Trp-Met-alphaAsp-Phe-NH2
  • L-pGlu-L-Gln-L-Asp-O-Sulfo-L-Tyr-L-Thr-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH2
  • 5-Oxo-L-Pro-L-Gln-L-alphaAsp-O-sulfo-L-Tyr-L-Thr-Gly-L-Trp-L-Met-L-alphaAsp-L-Phe-NH2
  • (3S)-3-(((1S)-1-carbamoyl-2-phenylethyl)carbamoyl)-3-((2S)-2-((2S)-2-(2-((2S,3R)-2-((2S)-2-((2S)-2-((2S)-4-carbamoyl-2-(((2S)-5-oxopyrrolidin-2-yl)formamido)butanamido)-3-carboxypropanamido)-3-(4-(sulfooxy)phenyl)propanamido)-3-hydroxybutanamido)acetamido)-3-(1H-indol-3-yl)propanamido)-4-(methylsulfanyl)butanamido)propanoic acid
  • (3S)-3-(((2S)-5-amino-5-oxo-2-(((2S)-5-oxopyrrolidine-2-carbonyl)amino)pentanoyl)amino)-4-(((2S)-1-(((2S,3R)-1-((2-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-carboxy-1-oxopropan-2-yl)amino)-4-methylsulfanyl-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-2-oxoethyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl)amino)-4-oxobutanoic acid
  • (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido}-3-(indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
  • (3S)-4-[[(1S)-2-[[(1S,2R)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-1-[(4-sulfooxyphenyl)methyl]ethyl]amino]-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxo-butanoic acid
  • 5-OXO-L-PROLYL-L-GLUTAMINYL-L-A-ASPARTYL-O-SULFO-L-TYROSYL-L-THREONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-PHENYLALANINAMIDE
  • 5-oxo-L-prolyl-L-glutaminyl-L-a-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-a-aspartyl-L-phenylalaninamide
  • Caerulein; Caerulein (Xenopus amieti); Caerulein 1.1; Caerulein 1.1 (Litoria citropa); Cerulein; Ceruletide; FI 6934; L-Phenylalaninamide, 5-oxo-L-prolyl-L-glutaminyl-L-a-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-a-aspartyl-