[(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Systemtic Name: [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-oxo-ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate CAS Name: (2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [(1S,3R,7S,8S,8aR)-8-[2-[(4R,6R)-6-[2-(butylamino)-2-keto-ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C31H51NO5 MolecularWeight: 517.74034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1CC(OC(O1)(C)C)CCC2C(C=CC3=CC(CC(C23)OC(=O)C(C)CC)C)C

Isomeric SMILES

CCCCNC(=O)C[C@H]1C[C@H](OC(O1)(C)C)CC[C@H]2[C@H](C=CC3=C[C@@H](C[C@@H]([C@H]23)OC(=O)[C@@H](C)CC)C)C

InChI

InChI=1S/C31H51NO5/c1-8-10-15-32-28(33)19-25-18-24(36-31(6,7)37-25)13-14-26-22(5)11-12-23-16-20(3)17-27(29(23)26)35-30(34)21(4)9-2/h11-12,16,20-22,24-27,29H,8-10,13-15,17-19H2,1-7H3,(H,32,33)/t20-,21-,22-,24+,25+,26-,27-,29-/m0/s1