(2S)-2-[6-[(10aS)-1,3-bis(oxidanylidene)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[6-[(10aS)-1,3-bis(oxidanylidene)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-1-oxohexyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[6-[(10aS)-1,3-diketo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-2-yl]hexanoylamino]-2-phenyl-acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCCCCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H27N3O5/c29-21(26-22(24(31)32)17-9-3-1-4-10-17)13-5-2-8-14-27-23(30)20-15-18-11-6-7-12-19(18)16-28(20)25(27)33/h1,3-4,6-7,9-12,20,22H,2,5,8,13-16H2,(H,26,29)(H,31,32)/t20-,22-/m0/s1