(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-2-(phenylthio)acetic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-(phenylthio)acetic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(C(=O)O)SC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](C(=O)O)SC2=CC=CC=C2)N

InChI

InChI=1S/C17H18N2O3S/c18-14(11-12-7-3-1-4-8-12)15(20)19-16(17(21)22)23-13-9-5-2-6-10-13/h1-10,14,16H,11,18H2,(H,19,20)(H,21,22)/t14-,16-/m0/s1