2-azanylbutanedioic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Systemtic Name: 2-azanylbutanedioic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Openeye Name: 2-aminobutanedioic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 2-aminobutanedioic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: 2-aminobutanedioic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 2-aminosuccinic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C14H23N7O4S MolecularWeight: 385.44192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C10H16N6S.C4H7NO4/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;5-2(4(8)9)1-3(6)7/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);2H,1,5H2,(H,6,7)(H,8,9)