5-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(1-carboxy-4-guanidino-butyl)amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[(1-carboxy-4-guanidino-butyl)amino]-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-valeric acid Formula: C26H34N12O6 MolecularWeight: 610.62496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C26H34N12O6/c1-38(12-14-11-32-21-19(33-14)20(27)36-26(30)37-21)15-6-4-13(5-7-15)22(41)34-16(8-9-18(39)40)23(42)35-17(24(43)44)3-2-10-31-25(28)29/h4-7,11,16-17H,2-3,8-10,12H2,1H3,(H,34,41)(H,35,42)(H,39,40)(H,43,44)(H4,28,29,31)(H4,27,30,32,36,37)