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Procathepsin B (36-50) (rat)

CAT: 1410-M40078Size: 1 EachDry Ice: NoHazardous: No
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Description
Procathepsin B (36-50) (rat)
CAS Number
317331-26-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

H-Ser-tyr-leu-lys-lys-leu-cys-gly-thr-val-leu-gly-gly-pro-lys-NH2
CAS Number317331-26-3
PubChem CID139270260
IUPAC Name1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]-N-(1,6-diamino-1-oxohexan-2-yl)pyrrolidine-2-carboxamide
Molecular FormulaC71H123N19O18S
Molecular Weight1562.9
XLogP-2.1
Topological Polar Surface Area607
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count52
Heavy Atom Count109
Formal Charge0
Complexity2960
SMILES
CC(C)CC(C(=O)NC(CS)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)N
InChI
InChI=1S/C71H123N19O18S/c1-38(2)29-49(62(99)78-33-55(94)77-35-57(96)90-28-16-20-54(90)69(106)80-46(60(76)97)17-10-13-25-72)86-70(107)58(41(7)8)89-71(108)59(42(9)92)88-56(95)34-79-63(100)53(37-109)87-67(104)51(31-40(5)6)84-65(102)48(19-12-15-27-74)81-64(101)47(18-11-14-26-73)82-66(103)50(30-39(3)4)85-68(105)52(83-61(98)45(75)36-91)32-43-21-23-44(93)24-22-43/h21-24,38-42,45-54,58-59,91-93,109H,10-20,25-37,72-75H2,1-9H3,(H2,76,97)(H,77,94)(H,78,99)(H,79,100)(H,80,106)(H,81,101)(H,82,103)(H,83,98)(H,84,102)(H,85,105)(H,86,107)(H,87,104)(H,88,95)(H,89,108)
InChIKey
SKIRSRDFEPFDHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-tyr-leu-lys-lys-leu-cys-gly-thr-val-leu-gly-gly-pro-lys-NH2
CAS: 317331-26-3
CID: 139270260
Formula: C71H123N19O18S
MW: 1562.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1562.9
XLogP3-2.1
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count52
Exact Mass1561.90141932
Monoisotopic Mass1561.90141932
Topological Polar Surface Area607 Ų
Heavy Atom Count109
Formal Charge0
Complexity2960
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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