methyl (2S)-2-[2-[[(8R,9R,10R,11S,13R,14S,17S)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyethanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-[[(8R,9R,10R,11S,13R,14S,17S)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyethanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl (2S)-2-[[2-[[(8R,9R,10R,11S,13R,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[2-[[(8R,9R,10R,11S,13R,14S,17S)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxy-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(8R,9R,10R,11S,13R,14S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[2-[[(8R,9R,10R,11S,13R,14S,17S)-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]amino]oxyacetyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C30H42N4O8 MolecularWeight: 586.67648

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C(C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)NOCC(=O)NC(CC5=CN=CN5)C(=O)OC

Isomeric SMILES

C[C@]12CC=C(C=C1CC[C@H]3[C@H]2[C@H](C[C@@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O)NOCC(=O)N[C@@H](CC5=CN=CN5)C(=O)OC

InChI

InChI=1S/C30H42N4O8/c1-28-8-6-18(34-42-15-25(38)33-22(27(39)41-3)11-19-13-31-16-32-19)10-17(28)4-5-20-21-7-9-30(40,24(37)14-35)29(21,2)12-23(36)26(20)28/h6,10,13,16,20-23,26,34-36,40H,4-5,7-9,11-12,14-15H2,1-3H3,(H,31,32)(H,33,38)/t20-,21+,22+,23+,26+,28+,29-,30-/m1/s1