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

Systemtic Name: 2-[2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]acetyl]amino]acetyl]amino]acetic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6S/c19-10(17-8-12(21)22)6-16-11(20)7-18-15(24)14(25)13(23)9-4-2-1-3-5-9/h1-5,14,25H,6-8H2,(H,16,20)(H,17,19)(H,18,24)(H,21,22)