Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine
Basic information
- CAS
115160-13-9- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccc(C(=N)N)cc2)C(=O)O)cc1- InChIKey
JPEWJKSYNGCQMR-PMACEKPBSA-N- Molecular formula
- C24H29N5O6S
- Average molar mass
- 515.6 g/mol
- Monoisotopic mass
- 515.18385465
Names & identifiers
- Preferred name
- Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanine
- IUPAC
- (2S)-3-(4-carbamimidoylphenyl)-2-[[2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
Names & synonyms
115160-13-9Nalpha-(Tosylprolylglycyl)-4-amidinophenylalanineDTXSID30921638L-Phenylalanine, 4-(aminoiminomethyl)-N-(N-(1-((4-methylphenyl)sulfonyl)-L-prolyl)glycyl)-4-Carbamimidoyl-N-[1-hydroxy-2-({hydroxy[(2S)-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methylidene}amino)ethylidene]-L-phenylalanine4-Carbamimidoyl-N-[1-hydroxy-2-({hydroxy[1-(4-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methylidene}amino)ethylidene]phenylalanine
Database identifiers
- CAS
115160-13-9- PubChem CID
- 189276
- DTXSID
DTXSID30921638
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 920
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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