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

Systemtic Name: (4R)-4-azaniumyl-4-[2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]butanoate Openeye Name: (4R)-4-azaniumyl-4-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)butanoate CAS Name: (4R)-4-ammonio-4-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)butanoate Traditional Name: (4R)-4-ammonio-4-(2,4-diketo-1,5-dihydro-1,5-benzodiazepin-7-yl)butyrate Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c14-8(2-4-13(19)20)7-1-3-9-10(5-7)16-12(18)6-11(17)15-9/h1,3,5,8H,2,4,6,14H2,(H,15,17)(H,16,18)(H,19,20)/t8-/m1/s1