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N-t-butoxycarbonyl-L-tryptophanyl-L-methionyl-L-aspartyl-D-alanine n-propylamide

HCID 22796332
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
InChIKey
PNLRVKCWDGJYCM-JMBSJVKXSA-N
Molecular formula
C31H46N6O8S
Average molar mass
662.8 g/mol

Names & identifiers

Preferred name
N-t-butoxycarbonyl-L-tryptophanyl-L-methionyl-L-aspartyl-D-alanine n-propylamide
IUPAC
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxo-4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid

Names & synonyms

SCHEMBL11698919PNLRVKCWDGJYCM-JMBSJVKXSA-NN-t-butoxycarbonyl-L-tryptophanyl-L-methionyl-L-aspartyl-D-alanine n-propylamide

Database identifiers

PubChem CID
22796332

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
233 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
9
Rotatable bonds
19
Heavy atoms
46
Formal charge
0
Complexity
1,070

Related reactions

1 records
New reaction record
HRID 596812 reaction equation
HRID 596812As productuspto-grants-1977_03

Compound notes

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