(2S)-2-azanyl-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonic acid CAS Name: (2S)-2-amino-5-[[amino(methylimino)methyl]amino]pentanoic acid; 4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid; 4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: (2S)-2-amino-5-[(N'-methylamidino)amino]valeric acid; 4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]besylic acid Formula: C31H36N8O10S2 MolecularWeight: 744.79514

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NCCCC(C(=O)O)N.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN=C(N)NCCC[C@@H](C(=O)O)N.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O.C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/2C12H10N2O4S.C7H16N4O2/c2*15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18;1-10-7(9)11-4-2-3-5(8)6(12)13/h2*1-8,14H,(H,16,17,18);5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t;;5-/m..0/s1