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873561-40-1

873561-40-1 | L-Lysine, L-lysyl-L-leucyl-L-tryptophyl-L-valyl-L-isoleucyl-L-prolyl-

CAS No: 873561-40-1 Catalog No: AG004HGB MDL No:

Product Description

Catalog Number:
AG004HGB
Chemical Name:
L-Lysine, L-lysyl-L-leucyl-L-tryptophyl-L-valyl-L-isoleucyl-L-prolyl-
CAS Number:
873561-40-1
Molecular Formula:
C45H74N10O8
Molecular Weight:
883.1313
IUPAC Name:
(2S)-6-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
InChI:
InChI=1S/C45H74N10O8/c1-7-28(6)38(44(61)55-22-14-19-36(55)42(59)50-33(45(62)63)18-11-13-21-47)54-43(60)37(27(4)5)53-41(58)35(24-29-25-49-32-17-9-8-15-30(29)32)52-40(57)34(23-26(2)3)51-39(56)31(48)16-10-12-20-46/h8-9,15,17,25-28,31,33-38,49H,7,10-14,16,18-24,46-48H2,1-6H3,(H,50,59)(H,51,56)(H,52,57)(H,53,58)(H,54,60)(H,62,63)/t28-,31-,33-,34-,35-,36-,37-,38-/m0/s1
InChI Key:
QSAQCAOYTGLNDL-DZOVEVORSA-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)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCCN)[C@H](CC)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)N

Properties

Complexity:
1520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
882.569g/mol
Formal Charge:
0
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
883.149g/mol
Monoisotopic Mass:
882.569g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
297A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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