(3R)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]butanoic acid

Systemtic Name: (3R)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]butanoic acid Openeye Name: (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid CAS Name: (3R)-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]butanoic acid IUPAC Name: (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid Traditional Name: (3R)-3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butyric acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

C[C@H](CC(=O)O)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C19H26N4O4/c1-13(10-18(25)26)21-17(24)12-23-7-4-14-2-3-15(11-16(14)19(23)27)22-8-5-20-6-9-22/h2-3,11,13,20H,4-10,12H2,1H3,(H,21,24)(H,25,26)/t13-/m1/s1