2-[2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]acetic acid CAS Name: 2-[[2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]acetic acid Formula: C28H23N5O5 MolecularWeight: 509.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NCC(=O)O)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NCC(=O)O)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C28H23N5O5/c34-23(29-15-24(35)36)16-33-22-13-7-5-11-19(22)25(17-8-2-1-3-9-17)31-26(28(33)38)32-27(37)21-14-18-10-4-6-12-20(18)30-21/h1-14,26,30H,15-16H2,(H,29,34)(H,32,37)(H,35,36)