tert-butyl N-[(2S,3S)-4-[butylcarbamoyl(methyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-4-[butylcarbamoyl(methyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-benzyl-3-[butylcarbamoyl(methyl)amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3S)-4-[[butylamino(oxo)methyl]-methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-4-[butylcarbamoyl(methyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-benzyl-3-[butylcarbamoyl(methyl)amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4/c1-6-7-13-22-19(26)24(5)15-18(25)17(14-16-11-9-8-10-12-16)23-20(27)28-21(2,3)4/h8-12,17-18,25H,6-7,13-15H2,1-5H3,(H,22,26)(H,23,27)/t17-,18-/m0/s1