sodium 2-[2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: sodium 2-[2-[2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: sodium 2-[[2-[[2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]amino]acetyl]amino]acetate CAS Name: sodium 2-[[2-[[2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetate IUPAC Name: sodium 2-[[2-[[2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]acetyl]amino]acetyl]amino]acetate Traditional Name: sodium 2-[[2-[[2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]acetyl]amino]acetyl]amino]acetate Formula: C15H16N3NaO6S MolecularWeight: 389.35881

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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.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NCC(=O)NCC(=O)NCC(=O)[O-])S.[Na+]

InChI

InChI=1S/C15H17N3O6S.Na/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);/q;+1/p-1