Chemical Compound

(2S)-N-[(2R,4S,7R)-7-Acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-4-methylpentanoyl]carbamoyl]-2-amino-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-dioxooctan-4-yl]-1-[(2S)-2-amino-6-(propan-2-ylamino)hexanoyl]-N-[(2S)-2-[[(2R)-2-amino-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxamide

CAS Registry Number 170157-13-8
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(2S)-N-[(2R,4S,7R)-7-Acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-4-methylpentanoyl]carbamoyl]-2-amino-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-dioxooctan-4-yl]-1-[(2S)-2-amino-6-(propan-2-ylamino)hexanoyl]-N-[(2S)-2-[[(2R)-2-amino-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S)-N-[(2R,4S,7R)-7-Acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-4-methylpentanoyl]carbamoyl]-2-amino-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-dioxooctan-4-yl]-1-[(2S)-2-amino-6-(propan-2-ylamino)hexanoyl]-N-[(2S)-2-[[(2R)-2-amino-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxamide

库存
9,214 克
纯度
98.7 %
CAS
170157-13-8

化合物标识与属性

CAS
170157-13-8
PubChem CID
16131437
SMILES
CC(C)C[C@@H](C(=O)N(C(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C)N)C(=O)[C@](CC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)C)(C(=O)[C@@H](CC4=CC=C(C=C4)Cl)N)N(C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCNC(C)C)N)C(=O)[C@H](CO)NC(=O)[C@@H](CC6=CN=CC=C6)N)NC(=O)[C@@H](CC7=CC=C(C=C7)NC(=O)C)N
Canonical SMILES
CC(=O)Nc1ccc(C[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N(C(=O)[C@@H](N)Cc2ccc(NC(C)=O)cc2)C(=O)[C@](CC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)(C(=O)[C@H](N)Cc2ccc(Cl)cc2)N(C(=O)[C@H](CO)NC(=O)[C@H](N)Cc2cccnc2)C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCNC(C)C)cc1

名称与同义词

  • Acyline
  • DTXSID60168812
  • 170157-13-8
  • (2S)-N-[(2R,4S,7R)-7-Acetamido-4-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-[(2S)-2-[[(2R)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-4-methylpentanoyl]carbamoyl]-2-amino-1-(4-chlorophenyl)-8-naphthalen-2-yl-3,6-dioxooctan-4-yl]-1-[(2S)-2-amino-6-(propan-2-ylamino)hexanoyl]-N-[(2S)-2-[[(2R)-2-amino-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxamide
  • N~6~-(Propan-2-yl)-L-lysyl-L-prolyl-(5R)-5-acetamido-N-{(2S)-2-[(4-acetamido-D-phenylalanyl)amino]-4-methylpentanoyl}-N-[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]-2-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-6-(naphthalen-2-yl)-4-oxo-N~2~-[3-(pyridin-3-yl)-D-alanyl-L-seryl]-D-norleucinamide