D-Tryptophan, N-(N-acetyl-D-phenylalanyl)-, methyl ester

HCID 3059331

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Basic information

CAS: 76327-09-8
Standard SMILES: COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O
InChIKey: NIXPIONKGWROJJ-NHCUHLMSSA-N
Molecular formula: C23H25N3O4
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.18450629

Names & identifiers

Preferred name: D-Tryptophan, N-(N-acetyl-D-phenylalanyl)-, methyl ester
IUPAC: methyl (2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate

Names & synonyms

N-(N-Acetyl-D-phenylalanyl)-D-tryptophan methyl ester76327-09-8D-Tryptophan, N-(N-acetyl-D-phenylalanyl)-, methyl esterDTXSID20227191RefChem:336585DTXCID20149682Methyl N-acetyl-D-phenylalanyl-D-tryptophanate

Database identifiers

CAS: 76327-09-8
PubChem CID: 3059331
DTXSID: DTXSID20227191
Nikkaji: J61.739C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 100 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 30
Formal charge: 0
Complexity: 605

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