2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(5-amino-1-carboxy-pentyl)amino]-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoate CAS Name: 5-[(6-amino-1-hydroxy-1-oxohexan-2-yl)amino]-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-[(6-amino-1-hydroxy-1-oxohexan-2-yl)amino]-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoate Traditional Name: 5-[(5-amino-1-carboxy-pentyl)amino]-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-valerate Formula: C25H30N9O7- MolecularWeight: 568.5618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(=O)[O-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C25H31N9O7/c26-10-2-1-3-16(23(38)39)31-18(35)9-8-17(24(40)41)32-21(36)13-4-6-14(7-5-13)28-11-15-12-29-20-19(30-15)22(37)34-25(27)33-20/h4-7,12,16-17,28H,1-3,8-11,26H2,(H,31,35)(H,32,36)(H,38,39)(H,40,41)(H3,27,29,33,34,37)/p-1