(2S)-2-[[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methanoyl-amino]phenyl]-oxidanyl-methyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methanoyl-amino]phenyl]-oxidanyl-methyl]amino]pentanedioate Openeye Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-formyl-amino]phenyl]-hydroxy-methyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-formylamino]phenyl]-hydroxymethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-formylamino]phenyl]-hydroxymethyl]amino]pentanedioate Traditional Name: (2S)-2-[[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-formyl-amino]phenyl]-hydroxy-methyl]amino]glutarate Formula: C22H21N5O7-2 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(NC(CCC(=O)[O-])C(=O)[O-])O)N(CC2=CC3=C(C=C2)NC(=NC3=O)N)C=O

Isomeric SMILES

C1=CC(=CC=C1C(N[C@@H](CCC(=O)[O-])C(=O)[O-])O)N(CC2=CC3=C(C=C2)NC(=NC3=O)N)C=O

InChI

InChI=1S/C22H23N5O7/c23-22-25-16-6-1-12(9-15(16)20(32)26-22)10-27(11-28)14-4-2-13(3-5-14)19(31)24-17(21(33)34)7-8-18(29)30/h1-6,9,11,17,19,24,31H,7-8,10H2,(H,29,30)(H,33,34)(H3,23,25,26,32)/p-2/t17-,19?/m0/s1