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868170-41-6 | L-Asparagine, L-glutaminyl-L-phenylalanylglycylglycylglycyl-
CAS No: 868170-41-6 Catalog No: AG004J2L MDL No:
Product Description
Catalog Number:
AG004J2L
Chemical Name:
L-Asparagine, L-glutaminyl-L-phenylalanylglycylglycylglycyl-
CAS Number:
868170-41-6
Molecular Formula:
C24H34N8O9
Molecular Weight:
578.5750
IUPAC Name:
(2S)-4-amino-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C24H34N8O9/c25-14(6-7-17(26)33)22(38)32-15(8-13-4-2-1-3-5-13)23(39)30-11-20(36)28-10-19(35)29-12-21(37)31-16(24(40)41)9-18(27)34/h1-5,14-16H,6-12,25H2,(H2,26,33)(H2,27,34)(H,28,36)(H,29,35)(H,30,39)(H,31,37)(H,32,38)(H,40,41)/t14-,15-,16-/m0/s1
InChI Key:
XIJNCZPFYUELEJ-JYJNAYRXSA-N
SMILES:
O=C(CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)Cc1ccccc1)NCC(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)N
Properties
Complexity:
984
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
578.245g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
578.583g/mol
Monoisotopic Mass:
578.245g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
295A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.1
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