2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propanoic acid

Systemtic Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propanoic acid Openeye Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propanoic acid CAS Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propanoic acid IUPAC Name: 2-[3-(1H-indol-3-ylmethyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propanoic acid Traditional Name: 2-[3-(1H-indol-3-ylmethyl)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-7-yl]propionic acid Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H23N3O3/c1-16(27(32)33)18-11-12-23-21(13-18)25(17-7-3-2-4-8-17)29-24(26(31)30-23)14-19-15-28-22-10-6-5-9-20(19)22/h2-13,15-16,24,28H,14H2,1H3,(H,30,31)(H,32,33)