(2S)-2-[[(2S)-2-[[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxo-ethyl)-4-benzyl-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-51-isobutyl-28,45-diisopropyl-7,22-dimethyl-25-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexacontane-31-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

化合物标识与属性

CAS

164802-68-0

PubChem CID

176451075

SMILES

CC[C@H](C)[C@H]1C(=N[C@H](C(=N[C@@H](CSSC[C@H]2C(=N[C@H](C(=N[C@H]3CC(=N[C@@H](CSSC[C@@H](C(=NCC(=N[C@H](C(=N[C@H](C(=N1)O)C)O)CC4=CC=C(C=C4)O)O)O)N=C(CN=C([C@@H](N=C([C@@H](N=C3O)CC5=CC=CC=C5)O)C)O)O)C(=N[C@H](C(=NCC(=N[C@H](C(=NCC(=N[C@H](C(=N2)O)CO)O)O)C(C)C)O)O)CC(C)C)O)O)O)CC(=N)O)O)C(=N[C@@H](CC6=CC=CC=C6)C(=N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)O)O)O)O)C(C)C)O

Canonical SMILES

CC[C@H](C)[C@@H]1N=C(O)[C@H](C)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)CN=C(O)[C@@H]2CSSC[C@@H]3N=C(O)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CSSC[C@@H](C(O)=N[C@@H](Cc4ccccc4)C(O)=N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)N=C(O)[C@H](C(C)C)N=C1O)N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@H](C(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C3O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](C)C(O)=NCC(O)=N2