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820977-65-9

820977-65-9 | Glycine, L-tryptophyl-L-leucyl-L-valyl-L-lysylglycyl-L-arginylglycylglycyl-

CAS No: 820977-65-9 Catalog No: AG004WX6 MDL No:

Product Description

Catalog Number:
AG004WX6
Chemical Name:
Glycine, L-tryptophyl-L-leucyl-L-valyl-L-lysylglycyl-L-arginylglycylglycyl-
CAS Number:
820977-65-9
Molecular Formula:
C42H68N14O10
Molecular Weight:
929.0771
IUPAC Name:
2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C42H68N14O10/c1-23(2)16-31(55-37(62)27(44)17-25-18-48-28-11-6-5-10-26(25)28)40(65)56-36(24(3)4)41(66)54-30(12-7-8-14-43)39(64)52-21-34(59)53-29(13-9-15-47-42(45)46)38(63)51-20-33(58)49-19-32(57)50-22-35(60)61/h5-6,10-11,18,23-24,27,29-31,36,48H,7-9,12-17,19-22,43-44H2,1-4H3,(H,49,58)(H,50,57)(H,51,63)(H,52,64)(H,53,59)(H,54,66)(H,55,62)(H,56,65)(H,60,61)(H4,45,46,47)/t27-,29-,30-,31-,36-/m0/s1
InChI Key:
RWSFCTUXANYWTH-XGSQZGELSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)O)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(C)C

Properties

Complexity:
1680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
928.524g/mol
Formal Charge:
0
Heavy Atom Count:
66  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
929.094g/mol
Monoisotopic Mass:
928.524g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
402A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4  

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