Basic information
- CAS
136912-73-7- Standard SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)O- InChIKey
ZQAKFOMGNRXPNB-PMUGGPHNSA-N- Molecular formula
- C39H56N6O7S
- Average molar mass
- 753 g/mol
- Monoisotopic mass
- 752.39311932
Overview
neurokinin agonist
Names & identifiers
- Preferred name
- delta-Ava-Pro(9)-substance P (7-11)
- IUPAC
- (2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
- English name
- delta-Ava-Pro(9)-substance P (7-11)
- Molecular formula
- C39H56N6O7S
- Molecular weight
- 752.96
Names & synonyms
delta-Ava-pro(9)-substance P (7-11)136912-73-7GR-51667Substance P (7-11), delta-ava-pro(9)-Substance P (7-11). delta-aminovalyl-pro(9)-L-Methionine, N-(N-(1-(N-(N-(5-amino-1-oxopentyl)-L-phenylalanyl)-L-phenylalanyl)-D-prolyl)-L-leucyl)-RefChem:131673GR 51667(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acidDTXSID90929579N-[(2S)-2-({[(2R)-1-(N-{(2S)-2-[(5-Amino-1-hydroxypentylidene)amino]-1-hydroxy-3-phenylpropylidene}-L-phenylalanyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]-L-methionineN-[2-({[1-(N-{2-[(5-Amino-1-hydroxypentylidene)amino]-1-hydroxy-3-phenylpropylidene}phenylalanyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]methionine
Show more names
L-Methionine, N-[N-[1-[N-[N-(5-amino-1-oxopentyl)-L-phenylalanyl]-L-phenylalanyl]-D-prolyl]-L-leucyl]- (9CI)
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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