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821800-83-3

821800-83-3 | L-Arginine, L-seryl-L-threonyl-L-threonyl-L-threonyl-L-alanyl-L-prolyl-

CAS No: 821800-83-3 Catalog No: AG0050JW MDL No:

Product Description

Catalog Number:
AG0050JW
Chemical Name:
L-Arginine, L-seryl-L-threonyl-L-threonyl-L-threonyl-L-alanyl-L-prolyl-
CAS Number:
821800-83-3
Molecular Formula:
C29H52N10O12
Molecular Weight:
732.7830
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C29H52N10O12/c1-12(27(49)39-10-6-8-18(39)23(45)35-17(28(50)51)7-5-9-33-29(31)32)34-24(46)19(13(2)41)37-26(48)21(15(4)43)38-25(47)20(14(3)42)36-22(44)16(30)11-40/h12-21,40-43H,5-11,30H2,1-4H3,(H,34,46)(H,35,45)(H,36,44)(H,37,48)(H,38,47)(H,50,51)(H4,31,32,33)/t12-,13+,14+,15+,16-,17-,18-,19-,20-,21-/m0/s1
InChI Key:
OUVMKMQDJISUSR-VKPZVBSPSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C)[C@H](O)C)[C@H](O)C)[C@H](O)C)N

Properties

Complexity:
1280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
732.377g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
732.793g/mol
Monoisotopic Mass:
732.377g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
374A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.3  

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