(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl) 2-[1-(2-azanylpropanoyl)-3-methoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate

Systemtic Name: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl) 2-[1-(2-azanylpropanoyl)-3-methoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate Openeye Name: (5-methyl-2-oxo-1,3-dioxol-4-yl) 2-[1-(2-aminopropanoyl)-3-methoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate CAS Name: 2-[1-(2-amino-1-oxopropyl)-3-methoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoic acid (5-methyl-2-oxo-1,3-dioxol-4-yl) ester IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl) 2-[1-(2-aminopropanoyl)-3-methoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoate Traditional Name: 2-(1-alanyl-3-carbomethoxyoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-butyric acid (2-keto-5-methyl-1,3-dioxol-4-yl) ester Formula: C28H30N2O9 MolecularWeight: 538.5458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)OC(=O)C(CCC2=CC=CC=C2)N3C(CC4=CC=CC=C4C3C(=O)C(C)N)OC(=O)OC

Isomeric SMILES

CC1=C(OC(=O)O1)OC(=O)C(CCC2=CC=CC=C2)N3C(CC4=CC=CC=C4C3C(=O)C(C)N)OC(=O)OC

InChI

InChI=1S/C28H30N2O9/c1-16(29)24(31)23-20-12-8-7-11-19(20)15-22(37-27(33)35-3)30(23)21(14-13-18-9-5-4-6-10-18)25(32)38-26-17(2)36-28(34)39-26/h4-12,16,21-23H,13-15,29H2,1-3H3