(2S)-6-amino-2-{[(1R,4S,7S,10S,19S,22S,25R,28S,31S,34S,37S,43S,46S,50S,53S,56S,61R)-50-amino-7-(aminomethyl)-10,22,28-tribenzyl-53-(3-carbamimidamidopropyl)-56-(2-carbamoylethyl)-43-(carbamoylmethyl)-37-[(R)-carboxy(hydroxy)methyl]-61-methyl-2,5,8,11,14,20,23,26,29,32,35,38,41,44,51,54,57-heptadecaoxo-31-(propan-2-yl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,52,55,58-heptadecaazatetracyclo[32.24.2.24,25.015,19]dohexacontan-46-yl]formamido}hexanoic acid

化合物标识与属性

PubChem CID

177410186

SMILES

C[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC(C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CC[C@H](C(=O)N2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[C@H](NC(=O)C(NC(=O)CNC(=O)[C@@H](NC4=O)[C@H](C(=O)O)O)CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)CCCNC(=N)N)CCC(=O)N)C(C)C)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7)CN

Canonical SMILES

CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2NC(=O)C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CN)NC(=O)[C@H](C[C@H]2C)NC(=O)[C@H]2CC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](O)C(=O)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)CCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N2