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82085-31-2

82085-31-2 | L-Leucine, L-arginyl-L-lysyl-L-prolyl-L-tyrosyl-L-isoleucyl-

CAS No: 82085-31-2 Catalog No: AG005C63 MDL No:

Product Description

Catalog Number:
AG005C63
Chemical Name:
L-Leucine, L-arginyl-L-lysyl-L-prolyl-L-tyrosyl-L-isoleucyl-
CAS Number:
82085-31-2
Molecular Formula:
C38H64N10O8
Molecular Weight:
788.9770
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C38H64N10O8/c1-5-23(4)31(35(53)46-29(37(55)56)20-22(2)3)47-33(51)28(21-24-13-15-25(49)16-14-24)45-34(52)30-12-9-19-48(30)36(54)27(11-6-7-17-39)44-32(50)26(40)10-8-18-43-38(41)42/h13-16,22-23,26-31,49H,5-12,17-21,39-40H2,1-4H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)(H4,41,42,43)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
InChI Key:
DDPOCQWRHQMDPM-VGPFALITSA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)NC(=O)[C@H](CCCNC(=N)N)N

Properties

Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
788.491g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
788.992g/mol
Monoisotopic Mass:
788.491g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
311A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  

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