N-[(2S,3S,5R)-2-azanyl-6-(butylamino)-5-methyl-3-oxidanyl-6-oxidanylidene-hexyl]-4-ethynyl-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-ethynyl-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-ethynyl-N-isopropyl-3-(3-methoxypropoxy)benzamide CAS Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethynyl-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide IUPAC Name: N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy-5-methyl-6-oxohexyl]-4-ethynyl-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-ethynyl-N-isopropyl-3-(3-methoxypropoxy)benzamide Formula: C27H43N3O5 MolecularWeight: 489.64742

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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)C#C)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)C#C)OCCCOC)N)O

InChI

InChI=1S/C27H43N3O5/c1-7-9-13-29-26(32)20(5)16-24(31)23(28)18-30(19(3)4)27(33)22-12-11-21(8-2)25(17-22)35-15-10-14-34-6/h2,11-12,17,19-20,23-24,31H,7,9-10,13-16,18,28H2,1,3-6H3,(H,29,32)/t20-,23+,24+/m1/s1