Basic information
- CAS
77171-72-3- Standard SMILES
CC(C)C[C@H]1C(=O)NCC[C@@H](N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1C(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
RENGGPKMSRKEQC-ROHNOIKCSA-N- Molecular formula
- C30H40N6O6
- Average molar mass
- 580.7 g/mol
- Monoisotopic mass
- 580.30093302
Overview
synthesized by cyclization of the COOH-terminal carboxyl group of leucine from leucine enkephalin to the gamma amino moiety of alpha,gamma-diaminobutyric acid substituted in position 2 of the peptide; structure in first source
Names & identifiers
- Preferred name
- Enkephalin-leu, cyclo-N(gamma)-dinh-butyryl-
- IUPAC
- (3S,6S,12R)-12-amino-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
- English name
- enkephalin-Leu, cyclo-N(gamma)-diNH-butyryl-
- Molecular formula
- C30H40N6O6
- Molecular weight
- 580.68
Names & synonyms
TABGP77171-72-3Cyclo-N(gamma)-dinh-butyryl-leu-enkephalinEnkephalin-leu, cyclo-N(gamma)-dinh-butyryl-Leu-enkephalin, cyclo-N(gamma)-dinh-butyryl-Tyr-cyclo(-N(gamma)-D-A2-bu-gly-phe-leu-)Enkephalin-leu, cyclo-N(gamma)-diaminobutyryl-Leucine-enkephalin, cyclo-N(gamma)-dinh-butyryl-L-Leucine, L-tyrosyl-D-alpha,gamma-diaminobutyrylglycyl-L-phenylalanyl-, cyclic (5-2)-peptideRefChem:136892DTXSID00998433(3S,6S,12R)-12-Amino-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-2,8,11-trihydroxy-3-(2-methylpropyl)-1,4,7,10-tetraazacyclotetradeca-1,7,10-trien-5-one
Show more names
L-Leucine, L-tyrosyl-(2R)-2,4-diaminobutanoylglycyl-L-phenylalanyl-, (5→2)-lactam
12-Amino-4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-2,8,11-trihydroxy-3-(2-methylpropyl)-1,4,7,10-tetraazacyclotetradeca-1,7,10-trien-5-one
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 947
Chemistry & industry
Suppliers3 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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