(2S)-1-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[(1S)-1-benzyl-2-oxo-2-(phenethylamino)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-[(2S)-1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[(1S)-1-benzyl-2-keto-2-(phenethylamino)ethyl]pyrrolidine-2-carboxamide Formula: C33H40N4O4 MolecularWeight: 556.6951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)N)C)O

InChI

InChI=1S/C33H40N4O4/c1-22-18-26(38)19-23(2)27(22)21-28(34)33(41)37-17-9-14-30(37)32(40)36-29(20-25-12-7-4-8-13-25)31(39)35-16-15-24-10-5-3-6-11-24/h3-8,10-13,18-19,28-30,38H,9,14-17,20-21,34H2,1-2H3,(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1