(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)sulfonyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)sulfonyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)sulfonyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C21H21N5O8S MolecularWeight: 503.48514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C21H21N5O8S/c1-26(35(33,34)13-6-7-15-14(10-13)19(30)25-21(22)24-15)12-4-2-11(3-5-12)18(29)23-16(20(31)32)8-9-17(27)28/h2-7,10,16H,8-9H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H3,22,24,25,30)/t16-/m0/s1