(2S)-2-[2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonyl-methyl-amino]ethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonyl-methyl-amino]ethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]-methyl-amino]acetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-methylamino]acetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]-methyl-amino]acetyl]amino]glutaric acid Formula: C23H27N9O6 MolecularWeight: 525.51718

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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)N(C)CC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H27N9O6/c1-31(10-13-9-26-20-18(27-13)19(24)29-23(25)30-20)14-5-3-12(4-6-14)21(36)32(2)11-16(33)28-15(22(37)38)7-8-17(34)35/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,28,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)/t15-/m0/s1