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

Systemtic Name: 2-[2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]propanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]propanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]propanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]propanoylamino]acetyl]amino]acetic acid Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S/c1-9(15(24)18-7-11(20)17-8-12(21)22)19-16(25)14(26)13(23)10-5-3-2-4-6-10/h2-6,9,14,26H,7-8H2,1H3,(H,17,20)(H,18,24)(H,19,25)(H,21,22)