N-[(2S,3S,5R)-2-azanyl-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexyl]-4-bromanyl-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-bromanyl-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]-4-bromo-N-isopropyl-3-(3-methoxypropoxy)benzamide CAS Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-bromo-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide IUPAC Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-bromo-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide Traditional Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-6-keto-5-methyl-hexyl]-4-bromo-N-isopropyl-3-(3-methoxypropoxy)benzamide Formula: C25H42BrN3O5 MolecularWeight: 544.52208

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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)Br)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)Br)OCCCOC)N)O

InChI

InChI=1S/C25H42BrN3O5/c1-6-7-11-28-24(31)18(4)14-22(30)21(27)16-29(17(2)3)25(32)19-9-10-20(26)23(15-19)34-13-8-12-33-5/h9-10,15,17-18,21-22,30H,6-8,11-14,16,27H2,1-5H3,(H,28,31)/t18-,21+,22+/m1/s1