2-azanyl-2-[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid CAS Name: 2-amino-2-[3-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-amino-2-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid Traditional Name: 2-amino-2-[3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(C(=O)O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(C(=O)O)N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O4/c1-30-19-13-6-5-12-18(19)21(15-8-3-2-4-9-15)28-22(23(30)31)29-25(34)27-17-11-7-10-16(14-17)20(26)24(32)33/h2-14,20,22H,26H2,1H3,(H,32,33)(H2,27,29,34)