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145854-61-1

145854-61-1 | L-Leucinamide, L-isoleucyl-L-asparaginyl-L-leucyl-L-lysyl-L-alanyl-L-lysyl-L-alanyl-L-alanyl-L-leucyl-L-alanyl-L-lysyl-L-lysyl-L-leucyl-

CAS No: 145854-61-1 Catalog No: AG001DGB MDL No:

Product Description

Catalog Number:
AG001DGB
Chemical Name:
L-Leucinamide, L-isoleucyl-L-asparaginyl-L-leucyl-L-lysyl-L-alanyl-L-lysyl-L-alanyl-L-alanyl-L-leucyl-L-alanyl-L-lysyl-L-lysyl-L-leucyl-
CAS Number:
145854-61-1
Molecular Formula:
C70H132N20O15
Molecular Weight:
1493.9221
IUPAC Name:
(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanediamide
InChI:
InChI=1S/C70H132N20O15/c1-15-41(10)56(76)70(105)90-54(36-55(75)91)69(104)89-52(34-39(6)7)67(102)85-47(25-17-21-29-72)63(98)80-44(13)59(94)82-46(24-16-20-28-71)62(97)79-42(11)58(93)78-43(12)61(96)87-51(33-38(4)5)66(101)81-45(14)60(95)83-48(26-18-22-30-73)64(99)84-49(27-19-23-31-74)65(100)88-53(35-40(8)9)68(103)86-50(57(77)92)32-37(2)3/h37-54,56H,15-36,71-74,76H2,1-14H3,(H2,75,91)(H2,77,92)(H,78,93)(H,79,97)(H,80,98)(H,81,101)(H,82,94)(H,83,95)(H,84,99)(H,85,102)(H,86,103)(H,87,96)(H,88,100)(H,89,104)(H,90,105)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
InChI Key:
TUCDQOGRFHOSKG-ZWFWRLIFSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)CCCCN)CCCCN)C)CC(C)C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CC(=O)N)CC(C)C)CCCCN)C

Properties

Complexity:
2800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0
Exact Mass:
1493.018g/mol
Formal Charge:
0
Heavy Atom Count:
105  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
20  
Isotope Atom Count:
0
Molecular Weight:
1493.951g/mol
Monoisotopic Mass:
1493.018g/mol
Rotatable Bond Count:
55  
Topological Polar Surface Area:
595A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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