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870142-57-7

870142-57-7 | L-Phenylalanine, L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-

CAS No: 870142-57-7 Catalog No: AG004GQS MDL No:

Product Description

Catalog Number:
AG004GQS
Chemical Name:
L-Phenylalanine, L-alanyl-L-threonyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-
CAS Number:
870142-57-7
Molecular Formula:
C31H46N8O11
Molecular Weight:
706.7439
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C31H46N8O11/c1-15(32)25(43)38-24(17(3)41)29(47)37-21(14-40)27(45)35-19(13-23(33)42)30(48)39-11-7-10-22(39)28(46)34-16(2)26(44)36-20(31(49)50)12-18-8-5-4-6-9-18/h4-6,8-9,15-17,19-22,24,40-41H,7,10-14,32H2,1-3H3,(H2,33,42)(H,34,46)(H,35,45)(H,36,44)(H,37,47)(H,38,43)(H,49,50)/t15-,16-,17+,19-,20-,21-,22-,24-/m0/s1
InChI Key:
WVGGISOUPOSLBA-DZOQPPFBSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](N)C

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
706.329g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
706.754g/mol
Monoisotopic Mass:
706.329g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
313A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8  

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