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

N-t-butoxycarbonyl-L-methionyl-L-aspartyl-D-alanine amide

HCID 22796339
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(N)=O
InChIKey
WLKZDYSZVYPJRK-VWYCJHECSA-N
Molecular formula
C17H30N4O7S
Average molar mass
434.5 g/mol

Names & identifiers

Preferred name
N-t-butoxycarbonyl-L-methionyl-L-aspartyl-D-alanine amide
IUPAC
(3S)-4-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Names & synonyms

SCHEMBL11696148WLKZDYSZVYPJRK-VWYCJHECSA-NN-t-butoxycarbonyl-L-methionyl-L-aspartyl-D-alanine amide

Database identifiers

PubChem CID
22796339

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
202 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
29
Formal charge
0
Complexity
621

Related reactions

2 records
New reaction record
HRID 596803 reaction equation
HRID 596803As productuspto-grants-1977_03
HRID 596804 reaction equation
HRID 596804As reactantuspto-grants-1977_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes