(1S,4S,13S,16S,19S,22S,25S,28R,31S,37S,40S,41S,44R,47S,50S,53S,56R,65S,70S)-44-amino-37,50-bis(carbamoylmethyl)-31-[(R)-carboxy(hydroxy)methyl]-25-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-41,47,70-trimethyl-16-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecaazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontane-65-carboxylic acid

化合物标识与属性

PubChem CID

177553900

SMILES

C[C@H]1[C@@H]2C(=O)NC(C(=O)N[C@H](C(=O)N[C@H]3CSC[C@@H]4C(=O)N[C@@H](CS1)C(=O)N[C@@H](CNCCCC[C@H](NC(=O)[C@@H]([C@@H](SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC(=O)N)C)N)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@H](C(=O)O)O)CC(=O)N)C(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N2)CC(C)C)CC6=CC=C(C=C6)O)CO)CC7=CNC8=CC=CC=C87

Canonical SMILES

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CNCCCC[C@@H](C(=O)O)NC(=O)[C@@H]3NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@@H]4CSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS[C@H]3C)C(=O)N[C@@H](CS[C@@H](C)[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CO)C(=O)N4)C(=O)N2