2-[2-[[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]indol-1-yl]acetic acid CAS Name: 2-[2-[oxo-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[2-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]indol-1-yl]acetic acid Traditional Name: 2-[2-[[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]indol-1-yl]acetic acid Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=CC5=CC=CC=C5N4CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)C4=CC5=CC=CC=C5N4CC(=O)O

InChI

InChI=1S/C26H20N4O4/c31-22(32)15-30-20-13-7-4-10-17(20)14-21(30)25(33)29-24-26(34)27-19-12-6-5-11-18(19)23(28-24)16-8-2-1-3-9-16/h1-14,24H,15H2,(H,27,34)(H,29,33)(H,31,32)/t24-/m1/s1