ethyl 2-[(2S,4S,5S)-4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]-5-methoxy-benzoate

Systemtic Name: ethyl 2-[(2S,4S,5S)-4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]-5-methoxy-benzoate Openeye Name: ethyl 2-[(2S,4S,5S)-4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octyl]-5-methoxy-benzoate CAS Name: 2-[(2S,4S,5S)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-5-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-[(2S,4S,5S)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-5-methoxybenzoate Traditional Name: 2-[(2S,4S,5S)-4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octyl]-5-methoxy-benzoic acid ethyl ester Formula: C26H44N2O5 MolecularWeight: 464.63796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CC1=C(C=C(C=C1)OC)C(=O)OCC)C(C)C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)C[C@@H]([C@H](C[C@H](CC1=C(C=C(C=C1)OC)C(=O)OCC)C(C)C)N)O

InChI

InChI=1S/C26H44N2O5/c1-7-9-12-28-25(30)18(5)13-24(29)23(27)15-20(17(3)4)14-19-10-11-21(32-6)16-22(19)26(31)33-8-2/h10-11,16-18,20,23-24,29H,7-9,12-15,27H2,1-6H3,(H,28,30)/t18?,20-,23-,24-/m0/s1