(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-[(5Z)-4-azanyl-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-[(5Z)-4-azanyl-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; 4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 4-[(5Z)-4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid Formula: C27H36N10O5 MolecularWeight: 580.63874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC(=C3C4=C(N=CNN4C(=N3)C5CCC(CC5)C(=O)O)N)N=C21.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

COC1=CC=CC2=C/C(=C/3\C4=C(N=CNN4C(=N3)C5CCC(CC5)C(=O)O)N)/N=C21.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C21H22N6O3.C6H14N4O2/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;7-4(5(11)12)2-1-3-10-6(8)9/h2-4,9-12H,5-8,22H2,1H3,(H,23,24)(H,28,29);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/b17-14-;/t;4-/m.0/s1