(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-phenylethyl]-6-(4-{[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-5,8,14,17,26,29-hexakis(4-aminobutyl)-11-benzyl-23-(2-carbamoylethyl)-20-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-2-yl]methyl}-1H-1,2,3-triazol-1-yl)hexanamide

化合物标识与属性

PubChem CID

122213664

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN1C=C(N=N1)C[C@H]2C(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CCCCN)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CC3=CC=CC=C3)CCCCN)CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)N)N

Canonical SMILES

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCn1cc(C[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC2=O)nn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O