potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-oxo-butanoate CAS Name: potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-oxobutanoate IUPAC Name: potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-oxobutanoate Traditional Name: potassium 4-[[(3S,6aR,6bS,8aS,11S,12aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]amino]-4-keto-butyrate Formula: C34H50KNO6 MolecularWeight: 607.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1NC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C.[K+]

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)NC(=O)CCC(=O)[O-])C)(C)C(=O)O.[K+]

InChI

InChI=1S/C34H51NO6.K/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)35-25(37)8-9-26(38)39)22(36)18-20-21-19-31(4,28(40)41)15-14-30(21,3)16-17-33(20,34)6;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,35,37)(H,38,39)(H,40,41);/q;+1/p-1/t21-,23?,24-,27?,30+,31-,32-,33+,34+;/m0./s1