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189316-28-7

189316-28-7 | L-Lysinamide, N-acetyl-L-tryptophyl-L-lysyl-L-lysyl-L-lysyl- (9CI)

CAS No: 189316-28-7 Catalog No: AG002I9Z MDL No:

Product Description

Catalog Number:
AG002I9Z
Chemical Name:
L-Lysinamide, N-acetyl-L-tryptophyl-L-lysyl-L-lysyl-L-lysyl- (9CI)
CAS Number:
189316-28-7
Molecular Formula:
C37H63N11O6
Molecular Weight:
757.9662
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanamide
InChI:
InChI=1S/C37H63N11O6/c1-24(49)44-32(22-25-23-43-27-13-3-2-12-26(25)27)37(54)48-31(17-7-11-21-41)36(53)47-30(16-6-10-20-40)35(52)46-29(15-5-9-19-39)34(51)45-28(33(42)50)14-4-8-18-38/h2-3,12-13,23,28-32,43H,4-11,14-22,38-41H2,1H3,(H2,42,50)(H,44,49)(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t28-,29-,30-,31-,32-/m0/s1
InChI Key:
LYXDICXZXYCOAN-XDIGFQIYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C)CCCCN

Properties

Complexity:
1180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
757.496g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
757.982g/mol
Monoisotopic Mass:
757.496g/mol
Rotatable Bond Count:
28  
Topological Polar Surface Area:
309A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  

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