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160187-75-7 | L-Valine, N-[N-[N-[N-(N-L-glutaminyl-L-isoleucyl)-L-valyl]glycyl]glycyl]- (9CI)
CAS No: 160187-75-7 Catalog No: AG001RQE MDL No:
Product Description
Catalog Number:
AG001RQE
Chemical Name:
L-Valine, N-[N-[N-[N-(N-L-glutaminyl-L-isoleucyl)-L-valyl]glycyl]glycyl]- (9CI)
CAS Number:
160187-75-7
Molecular Formula:
C25H45N7O8
Molecular Weight:
571.6669
IUPAC Name:
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C25H45N7O8/c1-7-14(6)21(32-22(36)15(26)8-9-16(27)33)24(38)31-19(12(2)3)23(37)29-10-17(34)28-11-18(35)30-20(13(4)5)25(39)40/h12-15,19-21H,7-11,26H2,1-6H3,(H2,27,33)(H,28,34)(H,29,37)(H,30,35)(H,31,38)(H,32,36)(H,39,40)/t14-,15-,19-,20-,21-/m0/s1
InChI Key:
RNAKUNZKQROFIM-GAMLAWPCSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)C(C)C)NC(=O)[C@H](CCC(=O)N)N)C
Properties
Complexity:
925
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
571.333g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
571.676g/mol
Monoisotopic Mass:
571.333g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
252A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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