(2S,4S,5S,7S)-N-(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-4-oxidanyl-5-[(phenylmethyl)amino]-2-propan-2-yl-nonanamide

Systemtic Name: (2S,4S,5S,7S)-N-(3-azanyl-2,2-dimethyl-3-oxidanylidene-propyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-4-oxidanyl-5-[(phenylmethyl)amino]-2-propan-2-yl-nonanamide Openeye Name: (2S,4S,5S,7S)-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-5-(benzylamino)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide CAS Name: (2S,4S,5S,7S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-5-[(phenylmethyl)amino]-2-propan-2-ylnonanamide IUPAC Name: (2S,4S,5S,7S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(benzylamino)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide Traditional Name: (2S,4S,5S,7S)-N-(3-amino-3-keto-2,2-dimethyl-propyl)-5-(benzylamino)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-pelargonamide Formula: C37H59N3O6 MolecularWeight: 641.88086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)NCC2=CC=CC=C2

InChI

InChI=1S/C37H59N3O6/c1-25(2)29(19-28-15-16-33(45-8)34(20-28)46-18-12-17-44-7)21-31(39-23-27-13-10-9-11-14-27)32(41)22-30(26(3)4)35(42)40-24-37(5,6)36(38)43/h9-11,13-16,20,25-26,29-32,39,41H,12,17-19,21-24H2,1-8H3,(H2,38,43)(H,40,42)/t29-,30-,31-,32-/m0/s1