Home Other Building Blocks Bradykinin, 3-[(4R)-4-hydroxy-L-proline]-

Bradykinin, 3-[(4R)-4-hydroxy-L-proline]-

CAS No.:
37642-65-2
Catalog Number:
AG01CP96
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01CP96
Chemical Name:
Bradykinin, 3-[(4R)-4-hydroxy-L-proline]-
CAS Number:
37642-65-2
MDL Number:
MFCD00076259
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1
InChI Key:
JXRLHZCEMXTCBN-DIBGMJQNSA-N
Properties
Complexity:
2110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
1075.556g/mol
Formal Charge:
0
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
1076.227g/mol
Monoisotopic Mass:
1075.556g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
439A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8  
Properties