Basic information
- CAS
84890-90-4- Standard SMILES
CN[C@H](C(=O)NC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O)C(C)C- InChIKey
ATQVBSVAXDRWFW-HBMCJLEFSA-N- Molecular formula
- C23H32N3O6P
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.20287275
Overview
from Actinomadura spiculosospora
Names & identifiers
- Preferred name
- Antibiotic K 4
- IUPAC
- [(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid
- English name
- [(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-but anoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acid
- Molecular formula
- C23H32N3O6P
- Molecular weight
- 477.49
Names & synonyms
Antibiotic K 484890-90-4I5B1DTXSID90233941L-Phenylalaninamide, N-methyl-L-valyl-N-(2-(4-hydroxyphenyl)-1-phosphonoethyl)-, (R)-RefChem:113124DTXCID20156432[(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid[(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-butanoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acidI5-B1K-4SCHEMBL29865255
Show more names
I5 B1Antibiotic I5B1L-Phenylalaninamide, N-methyl-L-valyl-N-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-Nα-(N-Acetyl-L-isoleucyl)-N-[2-(4-hydroxyphenyl)-1-phosphonoethyl]-L-tyrosinamide[(1R)-2-(4-hydroxyphenyl)-1-[[(1S)-1-[[(2S)-3-methyl-2-methylamino-but anoyl]carbamoyl]-2-phenyl-ethyl]amino]ethyl]phosphonic acid
K 4Nalpha-[(1R)-2-(4-Hydroxyphenyl)-1-phosphonoethyl]-N-[(2S)-3-methyl-2-(methylamino)butanoyl]-L-phenylalaninamide
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 2.56 · 2.56±0.10(Predicted)
Chemistry & industry
Applications
DescriptionAntibiotic K 4 is a novel inhibitor of angiotensin I converting enzyme produced by Actinomadura spiculosospora.
UsesAntibiotic K 4 is an inhibitor of angiotensin I converting enzyme (ACE) (Ki: 0.18 μM). Antibiotic K 4 inhibits pressor response to angiotensin I in rats[1].
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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