2-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-cyclohexyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-cyclohexyl-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[1-(2-amino-2-oxoethyl)-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[1-(2-amino-2-oxoethyl)-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[1-(2-amino-2-keto-ethyl)-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)N)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC(=O)N)CC(=O)O

InChI

InChI=1S/C18H22N4O4/c19-15(23)10-21-14-9-5-4-8-13(14)17(12-6-2-1-3-7-12)20-22(18(21)26)11-16(24)25/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,19,23)(H,24,25)