tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal
Basic information
- CAS
69201-89-4- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1[C@H](C=O)CCCN=C(N)N- InChIKey
BAZSPDFNICLXAX-ZCNNSNEGSA-N- Molecular formula
- C25H38N6O5
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.29036833
Overview
inhibits thrombin induced platelet aggregation; also a serine protease inhibitor
Names & identifiers
- Preferred name
- tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal
- IUPAC
- tert-butyl N-[(2R)-1-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
- English name
- tert-butyloxycarbonyl-phenylalanyl-prolyl-arginal
- Molecular formula
- C25H38N6O5
- Molecular weight
- 502.61
Names & synonyms
tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal69201-89-4Boc-D-phe-pro-arg-alGyki 14,451GYKI-14,451tert-Butyl-oxy-carbonyl-D-phe-pro-arg-alLY-178207L-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-RefChem:188267GYKI14451LY 178207tert-butyl N-[(2R)-1-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Show more names
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]-
DTXSID90988909(2R)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{1-[(2S)-5-(carbamimidoylamino)-1-oxopentan-2-yl]-L-prolyl}-3-phenylpropanimidic acid2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[1-(5-carbamimidamido-1-oxopentan-2-yl)prolyl]-3-phenylpropanimidic acid
Database identifiers
- CAS
69201-89-4- PubChem CID
- 189740
- DTXSID
DTXSID90988909
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 786
Physicochemical properties
- Density
- 1.275 · 1.275±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.531 · 11.531±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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