tert-butyl N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-(pyridin-4-ylmethylcarbamoyl)pyrazolidin-1-yl]pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-(pyridin-4-ylmethylcarbamoyl)pyrazolidin-1-yl]pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-2-methyl-1-[2-(4-pyridylmethylcarbamoyl)pyrazolidine-1-carbonyl]butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[2-[oxo-(pyridin-4-ylmethylamino)methyl]-1-pyrazolidinyl]pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylcarbamoyl)pyrazolidin-1-yl]pentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-[2-(4-pyridylmethylcarbamoyl)pyrazolidine-1-carbonyl]butyl]carbamic acid tert-butyl ester Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NCC2=CC=NC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCN1C(=O)NCC2=CC=NC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N5O4/c1-6-15(2)17(24-20(29)30-21(3,4)5)18(27)25-12-7-13-26(25)19(28)23-14-16-8-10-22-11-9-16/h8-11,15,17H,6-7,12-14H2,1-5H3,(H,23,28)(H,24,29)/t15-,17-/m0/s1