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823195-74-0

823195-74-0 | L-Proline, D-alanyl-L-prolyl-D-alanyl-L-prolyl-D-alanyl-L-prolyl-D-alanyl-

CAS No: 823195-74-0 Catalog No: AG005F64 MDL No:

Product Description

Catalog Number:
AG005F64
Chemical Name:
L-Proline, D-alanyl-L-prolyl-D-alanyl-L-prolyl-D-alanyl-L-prolyl-D-alanyl-
CAS Number:
823195-74-0
Molecular Formula:
C32H50N8O9
Molecular Weight:
690.7876
IUPAC Name:
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C32H50N8O9/c1-17(33)28(44)37-13-5-9-21(37)25(41)34-18(2)29(45)38-14-6-10-22(38)26(42)35-19(3)30(46)39-15-7-11-23(39)27(43)36-20(4)31(47)40-16-8-12-24(40)32(48)49/h17-24H,5-16,33H2,1-4H3,(H,34,41)(H,35,42)(H,36,43)(H,48,49)/t17-,18-,19-,20-,21+,22+,23+,24+/m1/s1
InChI Key:
MXFOYSNVVIMXBB-ATSGTUNTSA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C)C)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)C)C

Properties

Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
690.37g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
690.799g/mol
Monoisotopic Mass:
690.37g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  

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