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

Systemtic Name: tert-butyl N-[(2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-acetyl-4-hydroxy-phenyl)methyl]-2-oxo-2-(pentylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(3-acetyl-4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(3-acetyl-4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-acetyl-4-hydroxy-benzyl)-2-(amylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-6-7-8-11-22-19(26)17(23-20(27)28-21(3,4)5)13-15-9-10-18(25)16(12-15)14(2)24/h9-10,12,17,25H,6-8,11,13H2,1-5H3,(H,22,26)(H,23,27)/t17-/m0/s1