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207345-12-8

207345-12-8 | L-Isoleucine, glycylglycyl-L-glutaminyl-L-isoleucyl-L-alanyl-L-asparaginyl-

CAS No: 207345-12-8 Catalog No: AG002IZN MDL No:

Product Description

Catalog Number:
AG002IZN
Chemical Name:
L-Isoleucine, glycylglycyl-L-glutaminyl-L-isoleucyl-L-alanyl-L-asparaginyl-
CAS Number:
207345-12-8
Molecular Formula:
C28H49N9O10
Molecular Weight:
671.7430
IUPAC Name:
(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
InChI:
InChI=1S/C28H49N9O10/c1-6-13(3)22(36-25(43)16(8-9-18(30)38)34-21(41)12-32-20(40)11-29)27(45)33-15(5)24(42)35-17(10-19(31)39)26(44)37-23(28(46)47)14(4)7-2/h13-17,22-23H,6-12,29H2,1-5H3,(H2,30,38)(H2,31,39)(H,32,40)(H,33,45)(H,34,41)(H,35,42)(H,36,43)(H,37,44)(H,46,47)/t13-,14-,15-,16-,17-,22-,23-/m0/s1
InChI Key:
SULWJVMPMHTDDG-HKXXIWEFSA-N
SMILES:
NCC(=O)NCC(=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@H](CC)C)C(=O)O)CC(=O)N)C)[C@H](CC)C)CCC(=O)N

Properties

Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
671.36g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
671.753g/mol
Monoisotopic Mass:
671.36g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
324A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4  

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