5-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-(3-methylbutylsulfonylmethyl)-5-oxidanylidene-pentanethioic S-acid

Systemtic Name: 5-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-(3-methylbutylsulfonylmethyl)-5-oxidanylidene-pentanethioic S-acid Openeye Name: 5-[[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]amino]-4-(isopentylsulfonylmethyl)-5-oxo-pentanethioic S-acid CAS Name: 5-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-4-(3-methylbutylsulfonylmethyl)-5-oxopentanethioic S-acid IUPAC Name: 5-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-4-(3-methylbutylsulfonylmethyl)-5-oxopentanethioic S-acid Traditional Name: 5-[[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]amino]-4-(isoamylsulfonylmethyl)-5-keto-thiovaleric acid Formula: C29H42N2O6S2 MolecularWeight: 578.78358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O6S2/c1-21(2)14-15-39(35,36)20-24(12-13-28(33)38)29(34)31-26(17-22-8-5-4-6-9-22)27(32)19-30-18-23-10-7-11-25(16-23)37-3/h4-11,16,21,24,26-27,30,32H,12-15,17-20H2,1-3H3,(H,31,34)(H,33,38)