Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
Basic information
- CAS
98751-93-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1- InChIKey
DTERXEXWWITKDZ-IQZOZZQVSA-N- Molecular formula
- C52H79N13O13
- Average molar mass
- 1,094.3 g/mol
- Monoisotopic mass
- 1,093.59202963
Overview
chromogenic substrate for identification of aspartic proteinases
Names & identifiers
- Preferred name
- Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
- IUPAC
- (4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
- English name
- lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
- Molecular formula
- C52H79N13O13
- Molecular weight
- 1094.26
Names & synonyms
Lpigppal98751-93-0Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucineLys-pro-ile-glu-phe-phe(4-No2)-arg-leuRefChem:154806(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
Database identifiers
- CAS
98751-93-0- PubChem CID
- 196346
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 435 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 34
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,040
Physicochemical properties
- Density
- 1.398 · 1.398±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.378 · 3.378±0.10(predicted)
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Related reactions
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Compound notes
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