(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-mercaptobutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCS)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCS)C(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c14-10(8-9-4-2-1-3-5-9)12(16)15-11(6-7-19)13(17)18/h1-5,10-11,19H,6-8,14H2,(H,15,16)(H,17,18)/t10-,11-/m0/s1