tert-butyl N-[(2R)-1-oxidanylidene-3-phenyl-1-[(2S)-2-(3-pyridin-4-ylprop-2-ynylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-oxidanylidene-3-phenyl-1-[(2S)-2-(3-pyridin-4-ylprop-2-ynylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-benzyl-2-oxo-2-[(2S)-2-[3-(4-pyridyl)prop-2-ynylcarbamoyl]pyrrolidin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-1-oxo-1-[(2S)-2-[oxo-(3-pyridin-4-ylprop-2-ynylamino)methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-oxo-3-phenyl-1-[(2S)-2-(3-pyridin-4-ylprop-2-ynylcarbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-keto-2-[(2S)-2-[3-(4-pyridyl)prop-2-ynylcarbamoyl]pyrrolidino]ethyl]carbamic acid tert-butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC#CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCC#CC3=CC=NC=C3

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(34)30-22(19-21-9-5-4-6-10-21)25(33)31-18-8-12-23(31)24(32)29-15-7-11-20-13-16-28-17-14-20/h4-6,9-10,13-14,16-17,22-23H,8,12,15,18-19H2,1-3H3,(H,29,32)(H,30,34)/t22-,23+/m1/s1