(2S)-1-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)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-3-phenyl-1-(pyridin-4-ylamino)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-(4-pyridylamino)ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-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-(4-pyridylamino)ethyl]pyrrolidine-2-carboxamide Formula: C30H35N5O4 MolecularWeight: 529.63

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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)NC4=CC=NC=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)NC4=CC=NC=C4)N)C)O

InChI

InChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1