tert-butyl N-[5-methyl-4-oxidanylidene-2-[(2S)-2-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[(2S)-2-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-4-oxo-2-[(2S)-2-[2-(2-pyridyl)ethylcarbamoyl]pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[(2S)-2-[oxo-[2-(2-pyridinyl)ethylamino]methyl]-1-pyrrolidinyl]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-4-oxo-2-[(2S)-2-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[(2S)-2-[2-(2-pyridyl)ethylcarbamoyl]pyrrolidino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCCC3C(=O)NCCC4=CC=CC=N4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC[C@H]3C(=O)NCCC4=CC=CC=N4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N5O5/c1-16-18(30-25(34)36-26(2,3)4)10-11-19-21(16)23(33)35-24(29-19)31-15-7-9-20(31)22(32)28-14-12-17-8-5-6-13-27-17/h5-6,8,10-11,13,20H,7,9,12,14-15H2,1-4H3,(H,28,32)(H,30,34)/t20-/m0/s1