(2S)-N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-1-[(2R,3R)-3-ethyl-1-phenacyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-1-[(2R,3R)-3-ethyl-1-phenacyl-pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(6-amino-2-methyl-3-pyridyl)methyl]-1-[(2R,3R)-3-ethyl-1-phenacyl-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[(2R,3R)-3-ethyl-1-phenacyl-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(6-amino-2-methylpyridin-3-yl)methyl]-1-[(2R,3R)-3-ethyl-1-phenacylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(6-amino-2-methyl-3-pyridyl)methyl]-1-[(2R,3R)-3-ethyl-1-phenacyl-prolyl]pyrrolidine-2-carboxamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1C(=O)N2CCCC2C(=O)NCC3=C(N=C(C=C3)N)C)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1CCN([C@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=C(N=C(C=C3)N)C)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-3-19-13-15-31(17-23(33)20-8-5-4-6-9-20)25(19)27(35)32-14-7-10-22(32)26(34)29-16-21-11-12-24(28)30-18(21)2/h4-6,8-9,11-12,19,22,25H,3,7,10,13-17H2,1-2H3,(H2,28,30)(H,29,34)/t19-,22+,25-/m1/s1