Chemical Compound

(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-4-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid

CAS Registry Number 436083-30-6
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(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-4-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid 结构式
Primary record

(3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-4-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid

库存
1,581 克
纯度
99.5 %
CAS
436083-30-6

化合物标识与属性

CAS
436083-30-6
PubChem CID
134812809
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)C3CSSCCC(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)N3)CC4=CNC5=CC=CC=C54)CCCNC(=N)N)CC6=CC7=CC=CC=C7C=C6)CC8=CNC=N8)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N
Canonical SMILES
N=C(N)NCCCC1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C(CCC(=O)O)NC(=O)CCSSCC(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

名称与同义词

  • JKC-363
  • AS-89730
  • J2.173.040H
  • (3S)-3-[(2S)-6-amino-2-{[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S)-13-(3-carbamimidamidopropyl)-22-(2-carboxyethyl)-19-[(1H-imidazol-4-yl)methyl]-10-[(1H-indol-3-yl)methyl]-16-[(naphthalen-2-yl)methyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-3-carbamoylpropanoic acid
  • 2-Deamino-L-Cys(1)-L-Glu-L-His-3-(2-naphthyl)-D-Ala-L-Arg-L-Trp-Gly-L-Cys(1)-L-Pro-L-Pro-L-Lys-L-Asp-NH2
  • 436083-30-6