2-acetamidobutanedioic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-acetamidobutanedioic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-acetamidobutanedioic acid; (2S)-2-amino-5-guanidino-pentanoic acid CAS Name: 2-acetamidobutanedioic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-acetamidobutanedioic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-acetamidosuccinic acid; (2S)-2-amino-5-guanidino-valeric acid Formula: C18H37N9O9 MolecularWeight: 523.54128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H14N4O2.C6H9NO5/c2*7-4(5(11)12)2-1-3-10-6(8)9;1-3(8)7-4(6(11)12)2-5(9)10/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t2*4-;/m00./s1