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

Systemtic Name: tert-butyl N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-(pyridin-3-ylcarbamoyl)pyrazolidin-1-yl]pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-2-methyl-1-[2-(3-pyridylcarbamoyl)pyrazolidine-1-carbonyl]butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[2-[oxo-(3-pyridinylamino)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-3-ylcarbamoyl)pyrazolidin-1-yl]pentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-[2-(3-pyridylcarbamoyl)pyrazolidine-1-carbonyl]butyl]carbamic acid tert-butyl ester Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN1C(=O)NC2=CN=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCN1C(=O)NC2=CN=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N5O4/c1-6-14(2)16(23-19(28)29-20(3,4)5)17(26)24-11-8-12-25(24)18(27)22-15-9-7-10-21-13-15/h7,9-10,13-14,16H,6,8,11-12H2,1-5H3,(H,22,27)(H,23,28)/t14-,16-/m0/s1