N-(3,5-dimethylbenzoyl)-N-methyl-(D)-tyrosyl-(L)-tryptophan

HCID 67675232
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Basic information

Standard SMILES
Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1
InChIKey
PEJSQEXQCBYHKN-RRPNLBNLSA-N
Molecular formula
C30H31N3O5
Average molar mass
513.6 g/mol
Monoisotopic mass
513.2263711

Names & identifiers

Preferred name
N-(3,5-dimethylbenzoyl)-N-methyl-(D)-tyrosyl-(L)-tryptophan
IUPAC
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Names & synonyms

SCHEMBL8722703PEJSQEXQCBYHKN-RRPNLBNLSA-NN-(3,5-dimethylbenzoyl)-N-methyl-(D)-tyrosyl-(L)-tryptophan

Database identifiers

PubChem CID
67675232

Properties

Computed structural properties

XLogP
4
Topological polar surface area
123 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
38

Related reactions

3 records
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Compound notes

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