3-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]butanoic acid IUPAC Name: 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-methyl-butyric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-16(2)20(22(27)28)25-21(26)19(15-31-14-18-11-7-4-8-12-18)24-23(29)30-13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)