methyl 4-[[(4-methoxycarbonyl-3-phenylmethoxy-phenyl)methyl-[6-(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]-2-phenylmethoxy-benzoate

Systemtic Name: methyl 4-[[(4-methoxycarbonyl-3-phenylmethoxy-phenyl)methyl-[6-(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]-2-phenylmethoxy-benzoate Openeye Name: methyl 2-benzyloxy-4-[[6-(benzyloxycarbonylamino)hexanoyl-[(3-benzyloxy-4-methoxycarbonyl-phenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[(4-methoxycarbonyl-3-phenylmethoxyphenyl)methyl-[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]methyl]-2-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methoxycarbonyl-3-phenylmethoxyphenyl)methyl-[6-(phenylmethoxycarbonylamino)hexanoyl]amino]methyl]-2-phenylmethoxybenzoate Traditional Name: 2-benzoxy-4-[[(3-benzoxy-4-carbomethoxy-benzyl)-[6-(benzyloxycarbonylamino)hexanoyl]amino]methyl]benzoic acid methyl ester Formula: C46H48N2O9 MolecularWeight: 772.88132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CN(CC2=CC(=C(C=C2)C(=O)OC)OCC3=CC=CC=C3)C(=O)CCCCCNC(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CN(CC2=CC(=C(C=C2)C(=O)OC)OCC3=CC=CC=C3)C(=O)CCCCCNC(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C46H48N2O9/c1-53-44(50)39-24-22-37(27-41(39)55-31-34-15-7-3-8-16-34)29-48(43(49)21-13-6-14-26-47-46(52)57-33-36-19-11-5-12-20-36)30-38-23-25-40(45(51)54-2)42(28-38)56-32-35-17-9-4-10-18-35/h3-5,7-12,15-20,22-25,27-28H,6,13-14,21,26,29-33H2,1-2H3,(H,47,52)