(phenylmethyl) N-[(2S,3R)-4-(hexylamino)-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-4-(hexylamino)-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2R)-1-benzyl-3-(hexylamino)-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-(hexylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-4-(hexylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-(hexylamino)-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C24H34N2O3/c1-2-3-4-11-16-25-18-23(27)22(17-20-12-7-5-8-13-20)26-24(28)29-19-21-14-9-6-10-15-21/h5-10,12-15,22-23,25,27H,2-4,11,16-19H2,1H3,(H,26,28)/t22-,23+/m0/s1