(2S)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]glutaric acid Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H24N2O7S/c1-28-10-9-13(16(23)19-14(17(24)25)7-8-15(21)22)20-18(26)27-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,19,23)(H,20,26)(H,21,22)(H,24,25)/t13-,14-/m0/s1