methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate

Systemtic Name: methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate Openeye Name: methyl 4-[[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoate CAS Name: 4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoate Traditional Name: 4-[[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoic acid methyl ester Formula: C33H39N3O7 MolecularWeight: 589.67866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C33H39N3O7/c1-33(2,3)43-32(40)36-28(17-11-12-20-34-31(39)42-22-23-13-7-5-8-14-23)29(37)35-25-18-19-26(30(38)41-4)27(21-25)24-15-9-6-10-16-24/h5-10,13-16,18-19,21,28H,11-12,17,20,22H2,1-4H3,(H,34,39)(H,35,37)(H,36,40)