tert-butyl N-[(2S)-3-(3-aminocarbonyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(3-aminocarbonyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-carbamoyl-4-hydroxy-phenyl)methyl]-2-oxo-2-(pentylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(3-carbamoyl-4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(3-carbamoyl-4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(amylamino)-1-(3-carbamoyl-4-hydroxy-benzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C20H31N3O5 MolecularWeight: 393.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC(=C(C=C1)O)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5/c1-5-6-7-10-22-18(26)15(23-19(27)28-20(2,3)4)12-13-8-9-16(24)14(11-13)17(21)25/h8-9,11,15,24H,5-7,10,12H2,1-4H3,(H2,21,25)(H,22,26)(H,23,27)/t15-/m0/s1