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

Systemtic Name: 2-azanyl-3-[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]propionic acid Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4/c1-31-21-13-6-5-12-19(21)22(17-9-3-2-4-10-17)29-23(24(31)32)30-26(35)28-18-11-7-8-16(14-18)15-20(27)25(33)34/h2-14,20,23H,15,27H2,1H3,(H,33,34)(H2,28,30,35)