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189279-82-1

189279-82-1 | Glycine, L-leucyl-L-phenylalanyl-L-threonyl-L-arginyl-L-lysyl-L-leucyl- (9CI)

CAS No: 189279-82-1 Catalog No: AG002I63 MDL No:

Product Description

Catalog Number:
AG002I63
Chemical Name:
Glycine, L-leucyl-L-phenylalanyl-L-threonyl-L-arginyl-L-lysyl-L-leucyl- (9CI)
CAS Number:
189279-82-1
Molecular Formula:
C39H67N11O9
Molecular Weight:
834.0176
IUPAC Name:
2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetic acid
InChI:
InChI=1S/C39H67N11O9/c1-22(2)18-26(41)33(54)48-30(20-25-12-7-6-8-13-25)37(58)50-32(24(5)51)38(59)47-28(15-11-17-44-39(42)43)35(56)46-27(14-9-10-16-40)36(57)49-29(19-23(3)4)34(55)45-21-31(52)53/h6-8,12-13,22-24,26-30,32,51H,9-11,14-21,40-41H2,1-5H3,(H,45,55)(H,46,56)(H,47,59)(H,48,54)(H,49,57)(H,50,58)(H,52,53)(H4,42,43,44)/t24-,26+,27+,28+,29+,30+,32+/m1/s1
InChI Key:
HVSCBSNDQZIJSU-FESBDMQSSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)Cc1ccccc1)CCCNC(=N)N

Properties

Complexity:
1390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
833.512g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
834.033g/mol
Monoisotopic Mass:
833.512g/mol
Rotatable Bond Count:
28  
Topological Polar Surface Area:
349A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  

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