2-[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethyl 2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate

Systemtic Name: 2-[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethyl 2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate Openeye Name: 2-[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethyl 2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate CAS Name: 2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid 2-[[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl]oxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethyl 2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate Traditional Name: 2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propionic acid 2-[[7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethyl ester Formula: C38H55N5O9S MolecularWeight: 757.9364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCNC(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C(=O)OCCNC(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCSC)N

InChI

InChI=1S/C38H55N5O9S/c1-22(2)11-12-30-37(4,52-30)32-31(48-5)29(13-15-38(32)21-50-38)51-36(47)40-16-17-49-35(46)23(3)42-34(45)28(43-33(44)26(39)14-18-53-6)19-24-20-41-27-10-8-7-9-25(24)27/h7-11,20,23,26,28-32,41H,12-19,21,39H2,1-6H3,(H,40,47)(H,42,45)(H,43,44)