(diphenylmethyl) 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (diphenylmethyl) 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: benzhydryl 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[3-mercapto-2-[(4-methoxyphenyl)methylamino]-1-oxopropyl]amino]-3-methylbutanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanylpropanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[3-mercapto-2-(p-anisylamino)propanoyl]amino]-3-methyl-butyric acid benzhydryl ester Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(CS)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(CS)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C29H34N2O4S/c1-20(2)26(31-28(32)25(19-36)30-18-21-14-16-24(34-3)17-15-21)29(33)35-27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,20,25-27,30,36H,18-19H2,1-3H3,(H,31,32)