pyridin-4-ylmethyl N-[1-[2-azanyl-1-(4-cyanophenyl)carbonyl-3-oxidanyl-pyrrolidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: pyridin-4-ylmethyl N-[1-[2-azanyl-1-(4-cyanophenyl)carbonyl-3-oxidanyl-pyrrolidin-2-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: 4-pyridylmethyl N-[1-[2-amino-1-(4-cyanobenzoyl)-3-hydroxy-pyrrolidine-2-carbonyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[2-amino-1-[(4-cyanophenyl)-oxomethyl]-3-hydroxy-2-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]carbamic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-[1-[2-amino-1-(4-cyanobenzoyl)-3-hydroxypyrrolidin-2-yl]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[2-amino-1-(4-cyanobenzoyl)-3-hydroxy-prolyl]-3-methyl-butyl]carbamic acid 4-pyridylmethyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1(C(CCN1C(=O)C2=CC=C(C=C2)C#N)O)N)NC(=O)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)CC(C(=O)C1(C(CCN1C(=O)C2=CC=C(C=C2)C#N)O)N)NC(=O)OCC3=CC=NC=C3

InChI

InChI=1S/C25H29N5O5/c1-16(2)13-20(29-24(34)35-15-18-7-10-28-11-8-18)22(32)25(27)21(31)9-12-30(25)23(33)19-5-3-17(14-26)4-6-19/h3-8,10-11,16,20-21,31H,9,12-13,15,27H2,1-2H3,(H,29,34)