(phenylmethyl) (2S)-2-[[1-methoxy-4-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-butan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[1-methoxy-4-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-butan-2-yl]amino]-4-phenyl-butanoate Openeye Name: benzyl (2S)-2-[[1-methoxycarbonyl-3-(p-tolylsulfonylamino)propyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[1-methoxy-4-[(4-methylphenyl)sulfonylamino]-1-oxobutan-2-yl]amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[1-methoxy-4-[(4-methylphenyl)sulfonylamino]-1-oxobutan-2-yl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[1-carbomethoxy-3-(tosylamino)propyl]amino]-4-phenyl-butyric acid benzyl ester Formula: C29H34N2O6S MolecularWeight: 538.65506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)OC)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(C(=O)OC)N[C@@H](CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O6S/c1-22-13-16-25(17-14-22)38(34,35)30-20-19-27(28(32)36-2)31-26(18-15-23-9-5-3-6-10-23)29(33)37-21-24-11-7-4-8-12-24/h3-14,16-17,26-27,30-31H,15,18-21H2,1-2H3/t26-,27?/m0/s1