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

Systemtic Name: (3S)-4-oxidanyl-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]butanoic acid Openeye Name: (3S)-4-hydroxy-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid CAS Name: (3S)-4-hydroxy-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]butanoic acid IUPAC Name: (3S)-4-hydroxy-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid Traditional Name: (3S)-4-hydroxy-3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butyric acid Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCNCC3)CC(=O)NC(CC(=O)O)CO

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCNCC3)CC(=O)N[C@@H](CC(=O)O)CO

InChI

InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1