Basic information
- CAS
142959-76-0- Standard SMILES
C=C(C)C[C@@H](C=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O- InChIKey
XEZFPYHBVYERSG-RKHRJCDKSA-N- Molecular formula
- C37H46N8O9
- Average molar mass
- 746.8 g/mol
- Monoisotopic mass
- 746.33877507
Overview
amino acid sequence given; less potent and less selective NK-2 tachykinin receptor antagonist compared to the linear analog, R 396
Names & identifiers
- Preferred name
- Men 10354
- IUPAC
- (3S)-3-amino-4-[[(2S)-5-amino-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[2-[[(2S)-4-methyl-1-oxopent-4-en-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
- English name
- MEN 10354
- Molecular formula
- C37H46N8O9
- Molecular weight
- 746.80934
Names & synonyms
Men10354Men 10354142959-76-0Cyclic(AcLeu-Asp-Gln-Trp-Phe-GlyNH2)DTXSID70162240Cyclo(L-alpha-aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanylglycyl-L-leucyl)RefChem:156451DTXCID4084731Cyclic (acleu-asp-gln-trp-phe-glynh2)Cyclic(acetylleucyl-aspartyl-glutaminyl-tryptophyl-phenylalanyl-glycyl amide)L-alpha-Aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-N-[(2S)-4-methyl-1-oxopent-4-en-2-yl]glycinamide
Database identifiers
- CAS
142959-76-0- PubChem CID
- 3083370
- DTXSID
DTXSID70162240
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,370
Chemistry & industry
Applications
DescriptionMEN-10354 is a less potent and less selective NK-2 tachykinin receptor antagonist compared to the linear analog, R 396.
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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