2-[8-(6-azanylhexylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(6-azanylhexylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(6-aminohexylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[(6-aminohexylamino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-(6-aminohexylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-(6-aminohexylcarbamoyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCCCCCN)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCCCCCN)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H34N4O4/c27-13-6-1-2-7-14-28-25(33)20-10-11-21-18-30(15-12-19-8-4-3-5-9-19)26(34)23(17-24(31)32)29-22(21)16-20/h3-5,8-11,16,23,29H,1-2,6-7,12-15,17-18,27H2,(H,28,33)(H,31,32)