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PEPSINOSTREPTIN

CAS No.:
51724-57-3
Catalog Number:
AG00DA4G
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DA4G
Chemical Name:
PEPSINOSTREPTIN
CAS Number:
51724-57-3
MDL Number:
MFCD00214075
IUPAC Name:
(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI:
InChI=1S/C33H61N5O9/c1-16(2)12-22(36-32(46)28(18(5)6)38-33(47)29(19(7)8)37-30(44)20(9)10)24(39)14-26(41)34-21(11)31(45)35-23(13-17(3)4)25(40)15-27(42)43/h16-25,28-29,39-40H,12-15H2,1-11H3,(H,34,41)(H,35,45)(H,36,46)(H,37,44)(H,38,47)(H,42,43)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
InChI Key:
QNPQJKICJQEMBY-DAOOESDTSA-N
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
671.447g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
671.877g/mol
Monoisotopic Mass:
671.447g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Processing of seminal plasma hCAP-18 to ALL-38 by gastricsin: a novel mechanism of generating antimicrobial peptides in vagina. The Journal of biological chemistry 20030801
Properties