1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane

HCID 22940451

Basic information

Standard SMILES
CC(C)(C)OC(=O)NN(Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIKey
VCHFPQGKTAKVTA-NSOVKSMOSA-N
Molecular formula
C32H41N7O3
Average molar mass
571.7 g/mol

Names & identifiers

Preferred name
1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane
IUPAC
tert-butyl N-[[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-[[4-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]amino]carbamate

Names & synonyms

SCHEMBL6156278VCHFPQGKTAKVTA-NSOVKSMOSA-N1-{4-[2-(1-methyl -1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane

Database identifiers

PubChem CID
22940451

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
131 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
42

Related reactions

8 records

Compound notes

Loading…