3-(aminomethyl)-2-azanyl-4-oxidanylidene-5-(phenylcarbonylsulfanyl)-2-[2-(phenylcarbonylsulfanyl)ethanoyl]pentanoic acid

Systemtic Name: 3-(aminomethyl)-2-azanyl-4-oxidanylidene-5-(phenylcarbonylsulfanyl)-2-[2-(phenylcarbonylsulfanyl)ethanoyl]pentanoic acid Openeye Name: 2-amino-3-(aminomethyl)-5-benzoylsulfanyl-2-(2-benzoylsulfanylacetyl)-4-oxo-pentanoic acid CAS Name: 2-amino-3-(aminomethyl)-5-(benzoylthio)-2-[2-(benzoylthio)-1-oxoethyl]-4-oxopentanoic acid IUPAC Name: 2-amino-3-(aminomethyl)-5-benzoylsulfanyl-2-(2-benzoylsulfanylacetyl)-4-oxopentanoic acid Traditional Name: 2-amino-3-(aminomethyl)-5-(benzoylthio)-2-[2-(benzoylthio)acetyl]-4-keto-valeric acid Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)C(CN)C(C(=O)CSC(=O)C2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)C(CN)C(C(=O)CSC(=O)C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C22H22N2O6S2/c23-11-16(17(25)12-31-19(27)14-7-3-1-4-8-14)22(24,21(29)30)18(26)13-32-20(28)15-9-5-2-6-10-15/h1-10,16H,11-13,23-24H2,(H,29,30)