4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]butanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]butanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-(methylthio)butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCSC)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)NC(CCSC)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O5S/c1-3-4-10-15(17(22)20-16(18(23)24)11-12-27-2)21-19(25)26-13-14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)