(2S)-5-[bis(azanyl)methylideneamino]-2-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (2S)-5-guanidino-2-[(N'-methylcarbamimidoyl)amino]pentanoic acid CAS Name: (2S)-2-[[amino(methylimino)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; (2S)-5-guanidino-2-[(N'-methylamidino)amino]valeric acid Formula: C14H26N6O9 MolecularWeight: 422.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NC(CCCN=C(N)N)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN=C(N)N[C@@H](CCCN=C(N)N)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C8H18N6O2.C6H8O7/c1-12-8(11)14-5(6(15)16)3-2-4-13-7(9)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,2-4H2,1H3,(H,15,16)(H4,9,10,13)(H3,11,12,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t5-;/m0./s1