Chemical Compound

(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid

CAS Registry Number 215876-01-0
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(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid 结构式
Primary record

(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid

库存
3,268 克
纯度
99.0 %
CAS
215876-01-0

化合物标识与属性

CAS
215876-01-0
PubChem CID
100920894
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

名称与同义词

  • J1.017.778B
  • Biotinyl-epsilon-aminocaproyl-Glu-Pro-Gln-Tyr(PO3H2)-Glu-Glu-Ile-Pro-Ile-Tyr-Leu-OH
  • (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid
  • 215876-01-0
  • N-[6-[[5-[[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole]-4-yl]pentanoyl]amino]hexanoyl]-L-Glu-L-Pro-L-Gln-O-phosphono-L-Tyr-L-Glu-L-Glu-L-Ile-L-Pro-L-Ile-L-Tyr-L-Leu-OH