Chemical Compound

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-20-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-ylmethyl)-3,6,9,14,21-pentaoxo-1,4,7,

CAS Registry Number 577782-52-6
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(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-20-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-ylmethyl)-3,6,9,14,21-pentaoxo-1,4,7, 结构式
Primary record

(4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-20-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-ylmethyl)-3,6,9,14,21-pentaoxo-1,4,7,

库存
997 克
纯度
98.7 %
CAS
577782-52-6

化合物标识与属性

CAS
577782-52-6
PubChem CID
168431262
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N)CCC(=O)N
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(C)C)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

名称与同义词

  • CTCE-0214
  • RefChem:579506
  • VOY9490C9O
  • CTCE 0214
  • CDESNZRJTTVORZ-CWBIRLGUSA-N
  • EX-A7571
  • CT-0214
  • DA-62522
  • 577782-52-6
  • (4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-20-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-(1H-indol-3-ylmethyl)-3,6,9,14,21-pentaoxo-1,4,7,
  • L-ASPARTAMIDE, L-LYSYL-L-PROLYL-L-VALYL-L-SERYL-L-LEUCYL-L-SERYL-L-TYROSYL-L-ARGINYL-L-ALANYL-L-PROLYL-L-PHENYLALANYL-L-ARGINYL-L-PHENYLALANYL-L-PHENYLALANYLGLYCYLGLYCYLGLYCYLGLYCYL-L-LEUCYL-L-LYSYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLUTAMINYL-L-.ALPHA.-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-LYSYL-L-ALANYL-L-LEUCYL-, (24->20)-LACTAM
  • L-ASPARTAMIDE, L-LYSYL-L-PROLYL-L-VALYL-L-SERYL-L-LEUCYL-L-SERYL-L-TYROSYL-L-ARGINYL-L-ALANYL-L-PROLYL-L-PHENYLALANYL-L-ARGINYL-L-PHENYLALANYL-L-PHENYLALANYLGLYCYLGLYCYLGLYCYLGLYCYL-L-LEUCYL-L-LYSYL-L-TRYPTOPHYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ALPHA-GLUTAMYL-L-TYROSYL-L-LEUCYL-L-ALPHA-GLUTAMYL-L-LYSYL-L-ALANYL-L-LEUCYL-, (24->20)-LACTAM
  • LYS-PRO-VAL-SER-LEU-SER-TYR-ARG-ALA-PRO-PHE-ARG-PHE-PHE-GLY-GLY-GLY-GLY-LEU-LYS-TRP-ILE-GLN-GLU-TYR-LEU-GLU-LYS-ALA-LEU-ASN (24->20)-LACTAM