tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2H-pyridin-1-ylmethylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2H-pyridin-1-ylmethylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-(2H-pyridin-1-ylmethylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-(2H-pyridin-1-ylmethylamino)butyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-4-oxo-2-(2H-pyridin-1-ylmethylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-(2H-pyridin-1-ylmethylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H41N5O6 MolecularWeight: 555.66574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCN3CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCN3CC=CC=C3)O

InChI

InChI=1S/C29H41N5O6/c1-28(2,3)40-27(38)29(39)23(15-18-34(29)25(36)14-10-13-21-11-6-4-7-12-21)32-26(37)22(19-24(30)35)31-20-33-16-8-5-9-17-33/h4-9,11-12,16,22-23,31,39H,10,13-15,17-20H2,1-3H3,(H2,30,35)(H,32,37)