(5R)-5-azaniumyl-5-[2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-[2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)pentanoate CAS Name: (5R)-5-ammonio-5-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2,4-diketo-1,5-dihydro-1,5-benzodiazepin-7-yl)valerate Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)C(CCCC(=O)[O-])[NH3+])NC1=O

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)[C@@H](CCCC(=O)[O-])[NH3+])NC1=O

InChI

InChI=1S/C14H17N3O4/c15-9(2-1-3-14(20)21)8-4-5-10-11(6-8)17-13(19)7-12(18)16-10/h4-6,9H,1-3,7,15H2,(H,16,18)(H,17,19)(H,20,21)/t9-/m1/s1