N-[(2S,3S,5R)-2-azanyl-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexyl]-4-methoxy-3-(4-methoxybutyl)-N-propan-2-yl-benzamide

Systemtic Name: N-[(2S,3S,5R)-2-azanyl-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexyl]-4-methoxy-3-(4-methoxybutyl)-N-propan-2-yl-benzamide Openeye Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-hexyl]-N-isopropyl-4-methoxy-3-(4-methoxybutyl)benzamide CAS Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-methoxy-3-(4-methoxybutyl)-N-propan-2-ylbenzamide IUPAC Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-methoxy-3-(4-methoxybutyl)-N-propan-2-ylbenzamide Traditional Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-6-keto-5-methyl-hexyl]-N-isopropyl-4-methoxy-3-(4-methoxybutyl)benzamide Formula: C27H47N3O5 MolecularWeight: 493.67918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CN(C(C)C)C(=O)C1=CC(=C(C=C1)OC)CCCCOC)N)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CN(C(C)C)C(=O)C1=CC(=C(C=C1)OC)CCCCOC)N)O

InChI

InChI=1S/C27H47N3O5/c1-7-8-14-29-26(32)20(4)16-24(31)23(28)18-30(19(2)3)27(33)22-12-13-25(35-6)21(17-22)11-9-10-15-34-5/h12-13,17,19-20,23-24,31H,7-11,14-16,18,28H2,1-6H3,(H,29,32)/t20-,23+,24+/m1/s1