(2S)-2-benzamido-3-[(2S)-2-benzamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: (2S)-2-benzamido-3-[(2S)-2-benzamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: (2S)-2-benzamido-3-[(2S)-2-benzamido-3-hydroxy-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: (2S)-2-benzamido-3-[[(2S)-2-benzamido-3-hydroxy-3-oxopropyl]thio]propanoic acid IUPAC Name: (2S)-2-benzamido-3-[(2S)-2-benzamido-3-hydroxy-3-oxopropyl]sulfanylpropanoic acid Traditional Name: (2S)-2-benzamido-3-[[(2S)-2-benzamido-3-hydroxy-3-keto-propyl]thio]propionic acid Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t15-,16-/m1/s1