N-[(2S,3S,5R)-2-azanyl-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexyl]-4-methoxy-3-(3-methoxypropoxy)-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-(3-methoxypropoxy)-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-(3-methoxypropoxy)benzamide CAS Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide IUPAC Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-methoxy-3-(3-methoxypropoxy)-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-(3-methoxypropoxy)benzamide Formula: C26H45N3O6 MolecularWeight: 495.652

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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)OCCCOC)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)OCCCOC)N)O

InChI

InChI=1S/C26H45N3O6/c1-7-8-12-28-25(31)19(4)15-22(30)21(27)17-29(18(2)3)26(32)20-10-11-23(34-6)24(16-20)35-14-9-13-33-5/h10-11,16,18-19,21-22,30H,7-9,12-15,17,27H2,1-6H3,(H,28,31)/t19-,21+,22+/m1/s1