(2S)-2-[[4-[[(6S)-2-azanyl-5-methanoyl-4-oxidanylidene-1,6-dihydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[(6S)-2-azanyl-5-methanoyl-4-oxidanylidene-1,6-dihydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C20H21N7O7 MolecularWeight: 471.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2C=O)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C(N2C=O)C(=O)N=C(N3)N

InChI

InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8-9,12-13,22H,5-7H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1