[(2S)-3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl] benzoate

Systemtic Name: [(2S)-3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl] benzoate Openeye Name: [(2S)-2-(benzylamino)-3-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]amino]-2-methyl-3-oxo-propyl] benzoate CAS Name: benzoic acid [(2S)-3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxo-2-[(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(benzylamino)-3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl] benzoate Traditional Name: benzoic acid [(2S)-2-(benzylamino)-3-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-keto-ethyl]amino]-3-keto-2-methyl-propyl] ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCCCC3)NCC4=CC=CC=C4

Isomeric SMILES

C[C@](COC(=O)C1=CC=CC=C1)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)NCC4=CC=CC=C4

InChI

InChI=1S/C33H39N3O4/c1-33(34-23-26-16-8-3-9-17-26,24-40-31(38)27-18-10-4-11-19-27)32(39)36-29(22-25-14-6-2-7-15-25)30(37)35-28-20-12-5-13-21-28/h2-4,6-11,14-19,28-29,34H,5,12-13,20-24H2,1H3,(H,35,37)(H,36,39)/t29-,33-/m0/s1