2-Coumaroylphenylalanyl-alanyl-arginine
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Basic information
- CAS
161258-31-7- Standard SMILES
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O- InChIKey
OGMHCXCIZDQLCI-YYWHXJBOSA-N- Molecular formula
- C27H34N6O6
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.25398283
Overview
a fluorogenic substrate of carboxypeptidase H
Names & identifiers
- Preferred name
- 2-Coumaroylphenylalanyl-alanyl-arginine
- IUPAC
- (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]pentanoic acid
- English name
- 2-coumaroylphenylalanyl-alanyl-arginine
- Molecular formula
- C27H34N6O6
- Molecular weight
- 538.6
Names & synonyms
Cum-phe-ala-arg2-Coumaroylphenylalanyl-alanyl-arginineCum-phe-ala-arg-OH161258-31-7o-Coumaroylphenylalanyl-alanyl-arginineRefChem:86549(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]pentanoic acidL-Arginine, N2-[N-[N-[3-(2-hydroxyphenyl)-1-oxo-2-propenyl]-L-phenylalanyl]-L-alanyl]- (9CI)
Database identifiers
- CAS
161258-31-7- PubChem CID
- 6443522
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 884
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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