2-[[3-oxidanyl-2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-oxidanyl-2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-hydroxy-2-[[2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]amino]propanoyl]amino]acetic acid CAS Name: 2-[[3-hydroxy-2-[[2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[3-hydroxy-2-[[2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]acetyl]amino]propanoyl]amino]acetic acid Traditional Name: 2-[[3-hydroxy-2-[[2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]acetyl]amino]propanoyl]amino]acetic acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O)S

InChI

InChI=1S/C16H19N3O7S/c20-8-10(15(25)18-7-12(22)23)19-11(21)6-17-16(26)14(27)13(24)9-4-2-1-3-5-9/h1-5,10,14,20,27H,6-8H2,(H,17,26)(H,18,25)(H,19,21)(H,22,23)