(2R)-2-[[5-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[5-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[5-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: (2R)-2-[[[5-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[5-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[5-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-methyl-amino]thiophene-2-carbonyl]amino]glutaric acid Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(S3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N5O6S/c1-25(9-10-2-3-12-11(8-10)17(28)24-20(21)23-12)15-6-5-14(32-15)18(29)22-13(19(30)31)4-7-16(26)27/h2-3,5-6,8,13H,4,7,9H2,1H3,(H,22,29)(H,26,27)(H,30,31)(H3,21,23,24,28)/t13-/m1/s1