[1-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-1-hexadecanoyloxy-3-propan-2-yloxycarbonyloxy-4H-isoquinolin-3-yl] hexadecanoate

Systemtic Name: [1-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-1-hexadecanoyloxy-3-propan-2-yloxycarbonyloxy-4H-isoquinolin-3-yl] hexadecanoate Openeye Name: [1-(2-aminopropanoyl)-2-(1-ethoxycarbonyl-3-phenyl-propyl)-1-hexadecanoyloxy-3-isopropoxycarbonyloxy-4H-isoquinolin-3-yl] hexadecanoate CAS Name: hexadecanoic acid [1-(2-amino-1-oxopropyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-1-(1-oxohexadecoxy)-3-[oxo(propan-2-yloxy)methoxy]-4H-isoquinolin-3-yl] ester IUPAC Name: [1-(2-aminopropanoyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-1-hexadecanoyloxy-3-propan-2-yloxycarbonyloxy-4H-isoquinolin-3-yl] hexadecanoate Traditional Name: palmitic acid [1-alanyl-2-(1-carbethoxy-3-phenyl-propyl)-1-hexadecanoyloxy-3-isopropoxycarbonyloxy-4H-isoquinolin-3-yl] ester Formula: C60H96N2O10 MolecularWeight: 1005.41164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1(CC2=CC=CC=C2C(N1C(CCC3=CC=CC=C3)C(=O)OCC)(C(=O)C(C)N)OC(=O)CCCCCCCCCCCCCCC)OC(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1(CC2=CC=CC=C2C(N1C(CCC3=CC=CC=C3)C(=O)OCC)(C(=O)C(C)N)OC(=O)CCCCCCCCCCCCCCC)OC(=O)OC(C)C

InChI

InChI=1S/C60H96N2O10/c1-7-10-12-14-16-18-20-22-24-26-28-30-35-43-54(63)70-59(72-58(67)69-48(4)5)47-51-41-37-38-42-52(51)60(56(65)49(6)61,62(59)53(57(66)68-9-3)46-45-50-39-33-32-34-40-50)71-55(64)44-36-31-29-27-25-23-21-19-17-15-13-11-8-2/h32-34,37-42,48-49,53H,7-31,35-36,43-47,61H2,1-6H3