Chemical Compound
(2S)-6-{4-[(2-aminoethyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]amino]butanamido}-2-{[(3S,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidopropyl)-15-[(1H-imidazol-4-yl)methyl]-6-[(1H-indol-3-yl)methyl]-19-nitro-5,8,11,14,17-pentaoxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,4,7,10,13,16-benzothiapentazacyclononadecin-3-yl]formamido}hexanamide
Primary record
(2S)-6-{4-[(2-aminoethyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]amino]butanamido}-2-{[(3S,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidopropyl)-15-[(1H-imidazol-4-yl)methyl]-6-[(1H-indol-3-yl)methyl]-19-nitro-5,8,11,14,17-pentaoxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,4,7,10,13,16-benzothiapentazacyclononadecin-3-yl]formamido}hexanamide
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177460552
- SMILES
- CC1=CC(=NN1CCN(CCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H]2CSC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC(C(=O)N[C@@H](C(=O)NC(C(=O)NC(C(=O)N2)CC4=CNC5=CC=CC=C54)CCCN=C(N)N)CC6=CC=CC=C6)CC7=CN=CN7)CCN)C
- Canonical SMILES
- Cc1cc(C)n(CCN(CCN)CCCC(=O)NCCCC[C@H](NC(=O)[C@H]2CSc3ccc([N+](=O)[O-])cc3C(=O)NC(Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)N2)C(N)=O)n1
名称与同义词
- J3.116.729I
- (2S)-6-{4-[(2-aminoethyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]amino]butanamido}-2-{[(3S,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidopropyl)-15-[(1H-imidazol-4-yl)methyl]-6-[(1H-indol-3-yl)methyl]-19-nitro-5,8,11,14,17-pentaoxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,4,7,10,13,16-benzothiapentazacyclononadecin-3-yl]formamido}hexanamide
- (4S,7S,10S,13R,16S)-4-[[(1S)-1-Carbamoyl-5-[[4-[(2-aminoethyl)[2-(3,5-dimethyl-1H-pyrazole-1-yl)ethyl]amino]butyryl]amino]pentyl]carbamoyl]-7-(1H-indole-3-ylmethyl)-10-(3-guanidinopropyl)-13-benzyl-16-(1H-imidazole-4-ylmethyl)-21-nitro-5,8,11,14,17-pentaaza-2-thiabicyclo[17.4.0]tricosane-1(19),20,22-triene-6,9,12,15,18-pentaone