tert-butyl (3R)-3-benzamido-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3R)-3-benzamido-4-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3R)-3-benzamido-4-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]amino]-3-methyl-4-oxo-butanoate CAS Name: (3R)-3-benzamido-4-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-benzamido-4-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-4-oxobutanoate Traditional Name: (3R)-3-benzamido-4-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-keto-ethyl]amino]-4-keto-3-methyl-butyric acid tert-butyl ester Formula: C31H41N3O5 MolecularWeight: 535.67434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@](CC(=O)OC(C)(C)C)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H41N3O5/c1-30(2,3)39-26(35)21-31(4,34-27(36)23-16-10-6-11-17-23)29(38)33-25(20-22-14-8-5-9-15-22)28(37)32-24-18-12-7-13-19-24/h5-6,8-11,14-17,24-25H,7,12-13,18-21H2,1-4H3,(H,32,37)(H,33,38)(H,34,36)/t25-,31+/m0/s1