sodium 2-[2-(2-azanylethanoylamino)ethanoyl-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]ethanoate

Systemtic Name: sodium 2-[2-(2-azanylethanoylamino)ethanoyl-[2-(phenylcarbonylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: sodium 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-benzoylsulfanylacetyl)amino]acetate CAS Name: sodium 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-[2-(benzoylthio)-1-oxoethyl]amino]acetate IUPAC Name: sodium 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-benzoylsulfanylacetyl)amino]acetate Traditional Name: sodium 2-[[2-(benzoylthio)acetyl]-[2-(glycylamino)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)SCC(=O)N(CC(=O)[O-])C(=O)CNC(=O)CN.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)N(CC(=O)[O-])C(=O)CNC(=O)CN.[Na+]

InChI

InChI=1S/C15H17N3O6S.Na/c16-6-11(19)17-7-12(20)18(8-14(22)23)13(21)9-25-15(24)10-4-2-1-3-5-10;/h1-5H,6-9,16H2,(H,17,19)(H,22,23);/q;+1/p-1