HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

tert-Butyl (S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-ylsulfamoyl)amino]hexanoate

HCID 67320439
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)[C@H]1COCCCCOc2ccc(cc2)C[C@@H](NS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N1
InChIKey
HMDPWUONANFFPH-UPRLRBBYSA-N
Molecular formula
C33H56N4O9S
Average molar mass
684.9 g/mol

Names & identifiers

Preferred name
tert-Butyl (S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-ylsulfamoyl)amino]hexanoate
IUPAC
tert-butyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(9S,12R)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]sulfamoylamino]hexanoate

Names & synonyms

SCHEMBL2217007HMDPWUONANFFPH-UPRLRBBYSA-Ntert-Butyl (S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18), 15-trien-12-ylsulfamoyl)amino]hexanoatetert-Butyl (S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-ylsulfamoyl)amino]hexanoatetert-Butyl(S)-6-tert-butoxycarbonylamino-2-[((9S,12R)-9-isopropyl-11-oxo-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(17),14(18),15-trien-12-ylsulfamoyl)amino]hexanoate

Database identifiers

PubChem CID
67320439

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
179 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
15
Heavy atoms
47
Formal charge
0
Complexity
1,080

Related reactions

7 records
New reaction record
HRID 626649 reaction equation
HRID 626649As productuspto-grants-2016_04
HRID 1023016 reaction equation
HRID 1023016As productuspto-grants-2014_05
HRID 1023017 reaction equation
HRID 1023017As reactantuspto-grants-2014_05
HRID 2040022 reaction equation
HRID 2040022As productuspto-grants-2013_11
HRID 2040023 reaction equation
HRID 2040023As reactantuspto-grants-2013_11
HRID 2274557 reaction equation
HRID 2274557As productuspto-grants-2015_09
HRID 2274558 reaction equation
HRID 2274558As reactantuspto-grants-2015_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes