2-[8-[bis(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[bis(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[bis[2-(4-pyridyl)ethyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[bis(2-pyridin-4-ylethyl)amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[bis(2-pyridin-4-ylethyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[bis[2-(4-pyridyl)ethyl]carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C34H35N5O4 MolecularWeight: 577.6728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)N(CCC3=CC=NC=C3)CCC4=CC=NC=C4)NC(C(=O)N1CCC5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)N(CCC3=CC=NC=C3)CCC4=CC=NC=C4)NC(C(=O)N1CCC5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C34H35N5O4/c40-32(41)23-31-34(43)39(21-14-25-4-2-1-3-5-25)24-29-7-6-28(22-30(29)37-31)33(42)38(19-12-26-8-15-35-16-9-26)20-13-27-10-17-36-18-11-27/h1-11,15-18,22,31,37H,12-14,19-21,23-24H2,(H,40,41)