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149017-68-5

149017-68-5 | L-Arginine, N2-[N-[N-[N2-[N-[N2-[N2-(N2-L-valyl-L-arginyl)-L-lysyl]-L-arginyl]-L-threonyl]-L-arginyl]-L-leucyl]-L-leucyl]- (9CI)

CAS No: 149017-68-5 Catalog No: AG001LCW MDL No:

Product Description

Catalog Number:
AG001LCW
Chemical Name:
L-Arginine, N2-[N-[N-[N2-[N-[N2-[N2-(N2-L-valyl-L-arginyl)-L-lysyl]-L-arginyl]-L-threonyl]-L-arginyl]-L-leucyl]-L-leucyl]- (9CI)
CAS Number:
149017-68-5
Molecular Formula:
C51H100N22O11
Molecular Weight:
1197.4805
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C51H100N22O11/c1-26(2)24-35(43(79)70-34(47(83)84)18-13-23-65-51(60)61)72-44(80)36(25-27(3)4)71-41(77)32(16-11-21-63-49(56)57)69-46(82)38(29(7)74)73-42(78)33(17-12-22-64-50(58)59)67-39(75)30(14-8-9-19-52)66-40(76)31(15-10-20-62-48(54)55)68-45(81)37(53)28(5)6/h26-38,74H,8-25,52-53H2,1-7H3,(H,66,76)(H,67,75)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,72,80)(H,73,78)(H,83,84)(H4,54,55,62)(H4,56,57,63)(H4,58,59,64)(H4,60,61,65)/t29-,30+,31+,32+,33+,34+,35+,36+,37+,38+/m1/s1
InChI Key:
KNYSDEYUSWWHNI-GWMUGDFHSA-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)N[C@H](C(=O)O)CCCNC(=N)N)CC(C)C)CC(C)C)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCNC(=N)N

Properties

Complexity:
2220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
1196.794g/mol
Formal Charge:
0
Heavy Atom Count:
84  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
20  
Isotope Atom Count:
0
Molecular Weight:
1197.504g/mol
Monoisotopic Mass:
1196.794g/mol
Rotatable Bond Count:
43  
Topological Polar Surface Area:
600A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.1  

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