methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]benzoate

Systemtic Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]benzoate Openeye Name: methyl 3-[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]benzoate CAS Name: 3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]benzoate Traditional Name: 3-[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]benzoic acid methyl ester Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C27H34N2O7/c1-27(2,3)36-26(33)29-22(23(30)20-13-10-14-21(17-20)24(31)34-4)15-8-9-16-28-25(32)35-18-19-11-6-5-7-12-19/h5-7,10-14,17,22H,8-9,15-16,18H2,1-4H3,(H,28,32)(H,29,33)