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716339-02-5

716339-02-5 | L-Arginine, L-lysyl-L-arginyl-L-threonyl-L-isoleucyl-L-arginyl-

CAS No: 716339-02-5 Catalog No: AG005G99 MDL No:

Product Description

Catalog Number:
AG005G99
Chemical Name:
L-Arginine, L-lysyl-L-arginyl-L-threonyl-L-isoleucyl-L-arginyl-
CAS Number:
716339-02-5
Molecular Formula:
C34H68N16O8
Molecular Weight:
829.0061
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C34H68N16O8/c1-4-18(2)24(29(55)47-21(11-7-15-43-32(37)38)27(53)48-23(31(57)58)13-9-17-45-34(41)42)49-30(56)25(19(3)51)50-28(54)22(12-8-16-44-33(39)40)46-26(52)20(36)10-5-6-14-35/h18-25,51H,4-17,35-36H2,1-3H3,(H,46,52)(H,47,55)(H,48,53)(H,49,56)(H,50,54)(H,57,58)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)/t18-,19+,20-,21-,22-,23-,24-,25-/m0/s1
InChI Key:
VHRAIAHTTSBNSL-KFGZADJESA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](CC)C)[C@H](O)C)CCCNC(=N)N)N

Properties

Complexity:
1400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
828.541g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
829.022g/mol
Monoisotopic Mass:
828.541g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
448A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.1  

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