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

Systemtic Name: 2-[[4-[[(6S)-2-azanyl-5-methanoyl-4-oxidanylidene-1,6-dihydropteridin-6-yl]methylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[(6S)-2-amino-5-formyl-4-keto-1,6-dihydropteridin-6-yl]methylamino]benzoyl]amino]acetic acid Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O5/c18-17-22-14-13(16(29)23-17)24(8-25)11(6-20-14)5-19-10-3-1-9(2-4-10)15(28)21-7-12(26)27/h1-4,6,8,11,19H,5,7H2,(H,21,28)(H,26,27)(H3,18,22,23,29)/t11-/m0/s1