(phenylmethyl) (2S)-2-[[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-3-hydroxy-2-[[4-[(1S,3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]cyclohexyl]benzoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[[4-[(1S,3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]cyclohexyl]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-hydroxy-2-[[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[4-[(1S,3S)-3-[[(1R)-1-(1-naphthyl)ethyl]amino]cyclohexyl]benzoyl]amino]propionic acid benzyl ester Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC3CCCC(C3)C4=CC=C(C=C4)C(=O)NC(CO)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CCC[C@@H](C3)C4=CC=C(C=C4)C(=O)N[C@@H](CO)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H38N2O4/c1-24(31-16-8-12-27-11-5-6-15-32(27)31)36-30-14-7-13-29(21-30)26-17-19-28(20-18-26)34(39)37-33(22-38)35(40)41-23-25-9-3-2-4-10-25/h2-6,8-12,15-20,24,29-30,33,36,38H,7,13-14,21-23H2,1H3,(H,37,39)/t24-,29+,30+,33+/m1/s1