(2S)-4-methylsulfanyl-2-[2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethylamino]butanoic acid Openeye Name: (2S)-2-[2-[[(1R)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]ethylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[2-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]ethylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[2-[[(2R)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]ethylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[2-[[(1R)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]ethylamino]-4-(methylthio)butyric acid Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCCNC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCCN[C@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H24N2O4S/c1-23-10-7-13(15(19)20)17-8-9-18-14(16(21)22)11-12-5-3-2-4-6-12/h2-6,13-14,17-18H,7-11H2,1H3,(H,19,20)(H,21,22)/t13-,14+/m0/s1