4-[[4-butanoyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-pyrrolidin-3-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[4-butanoyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanyl-pyrrolidin-3-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[(4-butanoyl-2-tert-butoxycarbonyl-2-hydroxy-pyrrolidin-3-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-hydroxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(1-oxobutyl)-3-pyrrolidinyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[4-butanoyl-2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[(2-tert-butoxycarbonyl-4-butyryl-2-hydroxy-pyrrolidin-3-yl)amino]-4-keto-butyric acid Formula: C25H35N3O9 MolecularWeight: 521.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CNC(C1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCC(=O)C1CNC(C1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H35N3O9/c1-5-9-18(29)16-13-26-25(35,22(33)37-24(2,3)4)20(16)28-21(32)17(12-19(30)31)27-23(34)36-14-15-10-7-6-8-11-15/h6-8,10-11,16-17,20,26,35H,5,9,12-14H2,1-4H3,(H,27,34)(H,28,32)(H,30,31)