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163265-32-5

163265-32-5 | L-Norleucine, N-[N-[N-[N-[N-[N-[N-[N2-[N2-(N-glycyl-L-seryl)-L-asparaginyl]-L-lysyl]glycyl]-L-alanyl]-L-isoleucyl]-L-isoleucyl]glycyl]-L-leucyl]- (9CI)

CAS No: 163265-32-5 Catalog No: AG001TYZ MDL No:

Product Description

Catalog Number:
AG001TYZ
Chemical Name:
L-Norleucine, N-[N-[N-[N-[N-[N-[N-[N2-[N2-(N-glycyl-L-seryl)-L-asparaginyl]-L-lysyl]glycyl]-L-alanyl]-L-isoleucyl]-L-isoleucyl]glycyl]-L-leucyl]- (9CI)
CAS Number:
163265-32-5
Molecular Formula:
C46H83N13O14
Molecular Weight:
1042.2299
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C46H83N13O14/c1-9-12-15-29(46(72)73)56-41(67)30(18-24(4)5)53-36(64)22-51-44(70)37(25(6)10-2)59-45(71)38(26(7)11-3)58-39(65)27(8)52-35(63)21-50-40(66)28(16-13-14-17-47)55-42(68)31(19-33(49)61)57-43(69)32(23-60)54-34(62)20-48/h24-32,37-38,60H,9-23,47-48H2,1-8H3,(H2,49,61)(H,50,66)(H,51,70)(H,52,63)(H,53,64)(H,54,62)(H,55,68)(H,56,67)(H,57,69)(H,58,65)(H,59,71)(H,72,73)/t25-,26-,27-,28-,29-,30-,31-,32-,37-,38-/m0/s1
InChI Key:
KPCIWMFUJJNEFD-WZBQLBBYSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC)CC(C)C)[C@H](CC)C)[C@H](CC)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CO)CC(=O)N

Properties

Complexity:
1870  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
1041.618g/mol
Formal Charge:
0
Heavy Atom Count:
73  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
1042.247g/mol
Monoisotopic Mass:
1041.618g/mol
Rotatable Bond Count:
37  
Topological Polar Surface Area:
444A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2  

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