Basic information
- CAS
317331-27-4- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)O- InChIKey
ZFCIHFPJJWSJMS-HGVIYXBOSA-N- Molecular formula
- C123H198N34O33S
- Average molar mass
- 2,713.2 g/mol
Names & identifiers
- Preferred name
- Procathepsin B (26-50) (rat)
- IUPAC
- (3S)-3-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
- English name
- H-Ala-Gly-Arg-Asn-Phe-Tyr-Asn-Val-Asp-Ile-Ser-Tyr-Leu-Lys-Lys-Leu-Cys-Gly-Thr-Val-Leu-Gly-Gly-Pro-Lys-NH2
- Molecular formula
- C123H198N34O33S
- Molecular weight
- 2713.16
Names & synonyms
Procathepsin B (26-50) (rat)317331-27-4MFCD01318800FP109126H-Ala-Gly-Arg-Asn-Phe-Tyr-Asn-Val-Asp-Ile-Ser-Tyr-Leu-Lys-Lys-Leu-Cys-Gly-Thr-Val-Leu-Gly-Gly-Pro-Lys-N H2AGRNFYNVDISYLKKLCGTVLGGPK-NH2H-Ala-Gly-Arg-Asn-Phe-Tyr-Asn-Val-Asp-Ile-Ser-Tyr-Leu-Lys-Lys-Leu-Cys-Gly-Thr-Val-Leu-Gly-Gly-Pro-Lys-NH2L-Lysinamide,L-alanylglycyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-tyrosyl-L-asparaginyl-L-valyl-L-α-aspartyl-L-isoleucyl-L-seryl-L-tyrosyl-L-leucyl-L-lysyl-L-lysyl-L-leucyl-L-cysteinylglycyl-L-threonyl-L-valyl-L-leucylglycylglycyl-L-prolyl-L-Lysinamide, L-alanylglycyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-tyrosyl-L-asparaginyl-L-valyl-L-α-aspartyl-L-isoleucyl-L-seryl-L-tyrosyl-L-leucyl-L-lysyl-L-lysyl-L-leucyl-L-cysteinylglycyl-L-threonyl-L-valyl-L-leucylglycylglycyl-L-prolyl- (9CI)
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 1,100 Ų
- Hydrogen bond donors
- 39
- Hydrogen bond acceptors
- 39
- Rotatable bonds
- 90
- Heavy atoms
- 191
- Formal charge
- 0
- Complexity
- 5,960
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- form
- solid
- biological source
- rat
- InChIKey
- ZFCIHFPJJWSJMS-HGVIYXBOSA-N
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers30 total
成都彼样生物科技有限公司18108052721 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
合肥赛曼诺生物科技有限公司0551-65326643 18156095617 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
合肥赛曼诺生物科技有限公司0551-65326643 18156095617 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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