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163077-91-6

163077-91-6 | L-Leucine, L-arginyl-L-arginyl-L-prolyl-D-tryptophyl-L-isoleucyl-

CAS No: 163077-91-6 Catalog No: AG001TNV MDL No:

Product Description

Catalog Number:
AG001TNV
Chemical Name:
L-Leucine, L-arginyl-L-arginyl-L-prolyl-D-tryptophyl-L-isoleucyl-
CAS Number:
163077-91-6
Molecular Formula:
C40H65N13O7
Molecular Weight:
840.0270
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C40H65N13O7/c1-5-23(4)32(36(57)51-30(38(59)60)19-22(2)3)52-34(55)29(20-24-21-48-27-13-7-6-11-25(24)27)50-35(56)31-15-10-18-53(31)37(58)28(14-9-17-47-40(44)45)49-33(54)26(41)12-8-16-46-39(42)43/h6-7,11,13,21-23,26,28-32,48H,5,8-10,12,14-20,41H2,1-4H3,(H,49,54)(H,50,56)(H,51,57)(H,52,55)(H,59,60)(H4,42,43,46)(H4,44,45,47)/t23-,26-,28-,29+,30-,31-,32-/m0/s1
InChI Key:
SSPLLCIGJLFBJV-FNVFWIPQSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)C

Properties

Complexity:
1520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
839.513g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
840.044g/mol
Monoisotopic Mass:
839.513g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
345A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  

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