tert-butyl (2S)-1-[(2S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(2S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-methyl-1-oxo-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(2S)-3-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C31H41N3O6 MolecularWeight: 551.67374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H41N3O6/c1-21(2)26(28(36)34-18-12-17-25(34)29(37)40-31(3,4)5)33-27(35)24(19-22-13-8-6-9-14-22)32-30(38)39-20-23-15-10-7-11-16-23/h6-11,13-16,21,24-26H,12,17-20H2,1-5H3,(H,32,38)(H,33,35)/t24-,25-,26-/m0/s1