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86370-03-8

86370-03-8 | L-Lysine, N2-(N-(N-L-lysyl-L-tryptophyl)glycyl)-, 1,1-dimethylethyl ester

CAS No: 86370-03-8 Catalog No: AG004IFR MDL No:

Product Description

Catalog Number:
AG004IFR
Chemical Name:
L-Lysine, N2-(N-(N-L-lysyl-L-tryptophyl)glycyl)-, 1,1-dimethylethyl ester
CAS Number:
86370-03-8
Molecular Formula:
C29H47N7O5
Molecular Weight:
573.7274
IUPAC Name:
tert-butyl (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoate
InChI:
InChI=1S/C29H47N7O5/c1-29(2,3)41-28(40)23(13-7-9-15-31)35-25(37)18-34-27(39)24(36-26(38)21(32)11-6-8-14-30)16-19-17-33-22-12-5-4-10-20(19)22/h4-5,10,12,17,21,23-24,33H,6-9,11,13-16,18,30-32H2,1-3H3,(H,34,39)(H,35,37)(H,36,38)/t21-,23-,24-/m0/s1
InChI Key:
VBMBZDYAQWYZMV-XWGVYQGASA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)CCCCN)Cc1c[nH]c2c1cccc2)N

Properties

Complexity:
850  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
573.364g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
573.739g/mol
Monoisotopic Mass:
573.364g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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