N-{(4R)-2-[(1R,2R)-1-Amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl}-D-leucyl-D-alpha-glutamyl-N-[(3S,6R,12R,15S,18R,21R)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-[(1H-imidazol-5-yl)methyl]-2,5,8,11,14,17,20-heptaoxo-15-(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-D-isoleucinamide

化合物标识与属性

CAS

57762-79-5

PubChem CID

121232829

SMILES

CC[C@@H](C)[C@H](C1=N[C@@H](CS1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H]2CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)CCCN)C(C)C)CC3=CC=CC=C3)CC4=CN=CN4)CC(=O)O)CC(=O)N)N

Canonical SMILES

CC[C@@H](C)[C@@H](N)C1=N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)C(Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN)NC2=O)[C@H](C)CC)CS1