Chemical Compound

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1-{2-[(3S,9S,12S,15S,18S,21S,24S,30S,33S)-15-(4-aminobutyl)-9,30-bis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,23,26,29,32-decaoxo-1,7,10,13,16,19,22,25,28,31-decaazatricyclo[31.3.0.03,7]hexatriacontan-21-yl]ethyl}-1H-1,2,3-triazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

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(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1-{2-[(3S,9S,12S,15S,18S,21S,24S,30S,33S)-15-(4-aminobutyl)-9,30-bis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,23,26,29,32-decaoxo-1,7,10,13,16,19,22,25,28,31-decaazatricyclo[31.3.0.03,7]hexatriacontan-21-yl]ethyl}-1H-1,2,3-triazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid 结构式
Primary record

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1-{2-[(3S,9S,12S,15S,18S,21S,24S,30S,33S)-15-(4-aminobutyl)-9,30-bis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,23,26,29,32-decaoxo-1,7,10,13,16,19,22,25,28,31-decaazatricyclo[31.3.0.03,7]hexatriacontan-21-yl]ethyl}-1H-1,2,3-triazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102455642
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)CCN4C(=CN=N4)C[C@@H](C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(=O)O)C(=O)O)N)CCCN=C(N)N
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCn2nncc2C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC1=O

名称与同义词

  • J3.114.456F
  • (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1-{2-[(3S,9S,12S,15S,18S,21S,24S,30S,33S)-15-(4-aminobutyl)-9,30-bis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-2,8,11,14,17,20,23,26,29,32-decaoxo-1,7,10,13,16,19,22,25,28,31-decaazatricyclo[31.3.0.03,7]hexatriacontan-21-yl]ethyl}-1H-1,2,3-triazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
  • Cyclo[Ile-[(2S,8S,11S,14S,17S)-1,9,12,15-tetraoxo-2-(Gly-Arg-amino)-5,6-(1,2-diaza-1-propene-1-yl-3-ylidene)-8-amino*-11-benzyl-17,18-dicarboxy-13,14-propano-5,10,13,16-tetraazaoctadecane-1-yl]-Thr-Lys-Ser-Ile-Pro-Pro-]