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

Systemtic Name: tert-butyl N-[(2S,3S,5R)-6-methyl-3-oxidanyl-1-phenyl-5-(2-pyridin-3-ylethylcarbamoyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4R)-1-benzyl-2-hydroxy-5-methyl-4-[2-(3-pyridyl)ethylcarbamoyl]hexyl]carbamate CAS Name: N-[(2S,3S,5R)-3-hydroxy-6-methyl-5-[oxo-[2-(3-pyridinyl)ethylamino]methyl]-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-methyl-1-phenyl-5-(2-pyridin-3-ylethylcarbamoyl)heptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-5-methyl-4-[2-(3-pyridyl)ethylcarbamoyl]hexyl]carbamic acid tert-butyl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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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)NCCC2=CN=CC=C2

Isomeric SMILES

CC(C)[C@@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCC2=CN=CC=C2

InChI

InChI=1S/C27H39N3O4/c1-19(2)22(25(32)29-15-13-21-12-9-14-28-18-21)17-24(31)23(16-20-10-7-6-8-11-20)30-26(33)34-27(3,4)5/h6-12,14,18-19,22-24,31H,13,15-17H2,1-5H3,(H,29,32)(H,30,33)/t22-,23+,24+/m1/s1