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

Systemtic Name: 2-azanyl-2-[2-(2-azanylethanoylamino)ethanoyl]-3-oxidanylidene-4-(phenylcarbonylsulfanyl)pentanoic acid Openeye Name: 2-amino-2-[2-[(2-aminoacetyl)amino]acetyl]-4-benzoylsulfanyl-3-oxo-pentanoic acid CAS Name: 2-amino-2-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-4-(benzoylthio)-3-oxopentanoic acid IUPAC Name: 2-amino-2-[2-[(2-aminoacetyl)amino]acetyl]-4-benzoylsulfanyl-3-oxopentanoic acid Traditional Name: 2-amino-4-(benzoylthio)-2-[2-(glycylamino)acetyl]-3-keto-valeric acid Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C(=O)CNC(=O)CN)(C(=O)O)N)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)C(C(=O)CNC(=O)CN)(C(=O)O)N)SC(=O)C1=CC=CC=C1

InChI

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