SP-Chymostatin B
Basic information
- CAS
70857-49-7- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C=O)Cc1ccccc1- InChIKey
SABSBIPNNYDZRS-QORCZRPOSA-N- Molecular formula
- C30H41N7O6
- Average molar mass
- 595.7 g/mol
- Monoisotopic mass
- 595.31183205
Overview
L-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(1-formyl-2-phenylethyl)-, (1(S),2(S))- has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- SP-Chymostatin B
- IUPAC
- (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
- English name
- -MAPI
- Molecular formula
- C30H41N7O6
- Molecular weight
- 595.69
Names & synonyms
SP-Chymostatin B70857-49-7(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acidL-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(1-formyl-2-phenylethyl)-, (1(S),2(S))-alpha-Mapi.alpha.-MAPIPhe-CO-Arg-Val-L-Phe-Horb1701577alpha-MAPI, >=95%, solidSCHEMBL29434510DTXSID20221093alkaline protease inhibitor (API)
Show more names
?-MAPISP Chymostatin B,SPChymostatin BNα-[[[(1S)-1-Carboxy-2-phenylethyl]amino]carbonyl]-L-Arg-L-Val-[(1S)-1-formyl-2-phenylethyl]NH2Nα-[N2-[[[(1S)-1-Carboxy-2-phenylethyl]amino]carbonyl]-L-arginyl]-N-[(1S)-1-formyl-2-phenylethyl]-L-valinamide3,5,8,11-Tetraazatridecanoic acid, 6-[3-[(aminoiminomethyl)amino]propyl]-12-formyl-9-(1-methylethyl)-4,7,10-trioxo-13-phenyl-2-(phenylmethyl)-, (2S,6S,9S,12S)-
AKOS030531673(2S)-2-[[(1S)-4-(diaminomethylideneamino)-1-[[(1S)-2-methyl-1-[[(2S)-1-oxo-3-phenyl-propan-2-yl]carbamoyl]propyl]carbamoyl]butyl]carbamoylamino]-3-phenyl-propanoic acidDA-58034HY-126988CS-0109103T26202(2S,6S,9S,12S)-2,12-Dibenzyl-6-(3-guanidinopropyl)-9-isopropyl-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acidL-Valinamide, N2-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]-L-arginyl-N-[(1S)-1-formyl-2-phenylethyl]-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 943
Physicochemical properties
- Melting point
- 214 °C · 214 °C (decomp)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.83 · 3.83±0.10(Predicted)
Chemistry & industry
Applications
UsesSP-Chymostatin B (α-MAPI) is a strong inhibitor of many proteases, including chymotrypsin, papain, chymotrypsin-like serine proteinases, chymases, and lysosomal cysteine proteinases such as cathepsins A,B,C, H, and L. SP-Chymostatin B weakly inhibits human leucocyte elastase[1].
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Compound notes
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