3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonate; 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 3-[[(2E)-2-(2-azaniumylthiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-[[(2E)-2-(2-ammonio-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonate IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate Traditional Name: 2-amino-5-guanidino-valeric acid; 3-[[(2E)-2-(2-ammoniothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonate Formula: C19H31N9O10S2 MolecularWeight: 609.63374

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+].C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC(C)(C)C(=O)O)/C2=CSC(=N2)[NH3+].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C13H17N5O8S2.C6H14N4O2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22;7-4(5(11)12)2-1-3-10-6(8)9/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/b17-8+;