tert-butyl N-[(2S,3S,5S)-6-methyl-3-oxidanyl-1-phenyl-5-(2-piperidin-1-ylethylcarbamoyl)heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5S)-6-methyl-3-oxidanyl-1-phenyl-5-(2-piperidin-1-ylethylcarbamoyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-5-methyl-4-[2-(1-piperidyl)ethylcarbamoyl]hexyl]carbamate CAS Name: N-[(2S,3S,5S)-3-hydroxy-6-methyl-5-[oxo-[2-(1-piperidinyl)ethylamino]methyl]-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5S)-3-hydroxy-6-methyl-1-phenyl-5-(2-piperidin-1-ylethylcarbamoyl)heptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-1-benzyl-2-hydroxy-5-methyl-4-(2-piperidinoethylcarbamoyl)hexyl]carbamic acid tert-butyl ester Formula: C27H45N3O4 MolecularWeight: 475.6639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCN2CCCCC2

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCN2CCCCC2

InChI

InChI=1S/C27H45N3O4/c1-20(2)22(25(32)28-14-17-30-15-10-7-11-16-30)19-24(31)23(18-21-12-8-6-9-13-21)29-26(33)34-27(3,4)5/h6,8-9,12-13,20,22-24,31H,7,10-11,14-19H2,1-5H3,(H,28,32)(H,29,33)/t22-,23-,24-/m0/s1