methyl 4-[[2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-(3-phenylmethoxyphenyl)benzoate

Systemtic Name: methyl 4-[[2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-(3-phenylmethoxyphenyl)benzoate Openeye Name: methyl 4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-(3-benzyloxyphenyl)benzoate CAS Name: 4-[[2-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-(3-phenylmethoxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-(3-phenylmethoxyphenyl)benzoate Traditional Name: 4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-(3-benzoxyphenyl)benzoic acid methyl ester Formula: C35H37N3O6 MolecularWeight: 595.68478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)N)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)N)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H37N3O6/c1-42-34(40)30-19-18-28(22-31(30)27-15-10-16-29(21-27)43-23-25-11-4-2-5-12-25)38-33(39)32(36)17-8-9-20-37-35(41)44-24-26-13-6-3-7-14-26/h2-7,10-16,18-19,21-22,32H,8-9,17,20,23-24,36H2,1H3,(H,37,41)(H,38,39)