2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-prop-2-ynyl-amino]-3-methyl-phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-prop-2-ynyl-amino]-3-methyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynyl-amino]-3-methyl-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-prop-2-ynylamino]-3-methylphenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-propargyl-amino]-3-methyl-benzoyl]amino]glutaric acid Formula: C23H24N8O5 MolecularWeight: 492.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)N(CC#C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)N(CC#C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C23H24N8O5/c1-3-8-31(11-14-10-26-20-18(27-14)19(24)29-23(25)30-20)16-6-4-13(9-12(16)2)21(34)28-15(22(35)36)5-7-17(32)33/h1,4,6,9-10,15H,5,7-8,11H2,2H3,(H,28,34)(H,32,33)(H,35,36)(H4,24,25,26,29,30)