2-(acetamidomethyl)-5-[2-(acetamidomethylsulfanyl)ethanoylamino]-2-azanyl-4-oxidanylidene-3-sulfanyl-pentanoic acid

Systemtic Name: 2-(acetamidomethyl)-5-[2-(acetamidomethylsulfanyl)ethanoylamino]-2-azanyl-4-oxidanylidene-3-sulfanyl-pentanoic acid Openeye Name: 2-(acetamidomethyl)-5-[[2-(acetamidomethylsulfanyl)acetyl]amino]-2-amino-4-oxo-3-sulfanyl-pentanoic acid CAS Name: 2-(acetamidomethyl)-5-[[2-(acetamidomethylthio)-1-oxoethyl]amino]-2-amino-3-mercapto-4-oxopentanoic acid IUPAC Name: 2-(acetamidomethyl)-5-[[2-(acetamidomethylsulfanyl)acetyl]amino]-2-amino-4-oxo-3-sulfanylpentanoic acid Traditional Name: 2-(acetamidomethyl)-5-[[2-(acetamidomethylthio)acetyl]amino]-2-amino-4-keto-3-mercapto-valeric acid Formula: C13H22N4O6S2 MolecularWeight: 394.46698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(C(=O)CNC(=O)CSCNC(=O)C)S)(C(=O)O)N

Isomeric SMILES

CC(=O)NCC(C(C(=O)CNC(=O)CSCNC(=O)C)S)(C(=O)O)N

InChI

InChI=1S/C13H22N4O6S2/c1-7(18)16-5-13(14,12(22)23)11(24)9(20)3-15-10(21)4-25-6-17-8(2)19/h11,24H,3-6,14H2,1-2H3,(H,15,21)(H,16,18)(H,17,19)(H,22,23)