(S)-4'-(3-Amino-2-(4-(tert-butoxycarbonylamino)tetrahydro-2H-pyran-4-carboxamido)-3-oxopropyl)biphenyl-3-yl methanesulfonate

HCID 59568622
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3cccc(OS(C)(=O)=O)c3)cc2)C(N)=O)CCOCC1
InChIKey
UFMYEYREBOGNBR-QFIPXVFZSA-N
Molecular formula
C27H35N3O8S
Average molar mass
561.6 g/mol

Names & identifiers

Preferred name
(S)-4'-(3-Amino-2-(4-(tert-butoxycarbonylamino)tetrahydro-2H-pyran-4-carboxamido)-3-oxopropyl)biphenyl-3-yl methanesulfonate
IUPAC
[3-[4-[(2S)-3-amino-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carbonyl]amino]-3-oxopropyl]phenyl]phenyl] methanesulfonate

Names & synonyms

SCHEMBL290284UFMYEYREBOGNBR-QFIPXVFZSA-N(S)-4'-(3-Amino-2-(4-(tert-butoxycarbonylamino)tetrahydro-2H-pyran-4-carboxamido)-3-oxopropyl)biphenyl-3-yl methanesulfonate

Database identifiers

PubChem CID
59568622

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
172 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
39

Related reactions

1 records
New reaction record

Compound notes

Loading…