(2S)-3-cyclohexyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-cyclohexyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-cyclohexyl-propanoic acid CAS Name: (2S)-3-cyclohexyl-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-cyclohexyl-propionic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-15(2)19(24-22(28)29-14-17-11-7-4-8-12-17)20(25)23-18(21(26)27)13-16-9-5-3-6-10-16/h4,7-8,11-12,15-16,18-19H,3,5-6,9-10,13-14H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)/t18-,19-/m0/s1