methyl 4-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-(3-methylbutylsulfonylmethyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-(3-methylbutylsulfonylmethyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]amino]-3-(isopentylsulfonylmethyl)-4-oxo-butanoate CAS Name: 4-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-3-(3-methylbutylsulfonylmethyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-3-(3-methylbutylsulfonylmethyl)-4-oxobutanoate Traditional Name: 4-[[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]amino]-3-(isoamylsulfonylmethyl)-4-keto-butyric acid methyl ester Formula: C29H42N2O7S MolecularWeight: 562.71798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)CC(CC(=O)OC)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(C)CCS(=O)(=O)CC(CC(=O)OC)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C29H42N2O7S/c1-21(2)13-14-39(35,36)20-24(17-28(33)38-4)29(34)31-26(16-22-9-6-5-7-10-22)27(32)19-30-18-23-11-8-12-25(15-23)37-3/h5-12,15,21,24,26-27,30,32H,13-14,16-20H2,1-4H3,(H,31,34)