zinc;(4R)-4-[[(2S)-2-[[2-(1-amino-2-methyl-butyl)-4,5-dihydrothiazole-5-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S,2S)-1-[[(6R,9S,15S)-3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxylatomethyl)-9-(1H-imidazol-5-ylmethyl)-15-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoate

化合物标识与属性

CAS

1405-89-6

PubChem CID

175687864

SMILES

CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)C(C(C)CC)N)CC(=N)[O-])CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4.[Zn+2]

Canonical SMILES

CCC(C)C(N)C1=NCC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)NC2CCCCNC(=O)C(CC(=N)[O-])NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)C(Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C(CCCN)NC2=O)[C@@H](C)CC)S1.[Zn+2]