tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methylcarbamoylamino]butanoate

Systemtic Name: tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-4-oxidanylidene-3-[(4-phenylmethoxyphenyl)methylcarbamoylamino]butanoate Openeye Name: tert-butyl (3S)-3-[(4-benzyloxyphenyl)methylcarbamoylamino]-4-[3-cyclohexylpropyl(methyl)amino]-4-oxo-butanoate CAS Name: (3S)-4-[3-cyclohexylpropyl(methyl)amino]-4-oxo-3-[[oxo-[(4-phenylmethoxyphenyl)methylamino]methyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[3-cyclohexylpropyl(methyl)amino]-4-oxo-3-[(4-phenylmethoxyphenyl)methylcarbamoylamino]butanoate Traditional Name: (3S)-3-[(4-benzoxybenzyl)carbamoylamino]-4-[3-cyclohexylpropyl(methyl)amino]-4-keto-butyric acid tert-butyl ester Formula: C33H47N3O5 MolecularWeight: 565.74338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)N(C)CCCC1CCCCC1)NC(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)N(C)CCCC1CCCCC1)NC(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C33H47N3O5/c1-33(2,3)41-30(37)22-29(31(38)36(4)21-11-16-25-12-7-5-8-13-25)35-32(39)34-23-26-17-19-28(20-18-26)40-24-27-14-9-6-10-15-27/h6,9-10,14-15,17-20,25,29H,5,7-8,11-13,16,21-24H2,1-4H3,(H2,34,35,39)/t29-/m0/s1