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141971-84-8 | Glycinamide, N-acetyl-O-(1,1-dimethylethyl)-L-tyrosylglycyl-N-hexyl- (9CI)
CAS No: 141971-84-8 Catalog No: AG001HHC MDL No:
Product Description
Catalog Number:
AG001HHC
Chemical Name:
Glycinamide, N-acetyl-O-(1,1-dimethylethyl)-L-tyrosylglycyl-N-hexyl- (9CI)
CAS Number:
141971-84-8
Molecular Formula:
C25H40N4O5
Molecular Weight:
476.6089
IUPAC Name:
2-acetamido-N-[2-[[2-(hexylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
InChI:
InChI=1S/C25H40N4O5/c1-6-7-8-9-14-26-22(31)16-27-23(32)17-28-24(33)21(29-18(2)30)15-19-10-12-20(13-11-19)34-25(3,4)5/h10-13,21H,6-9,14-17H2,1-5H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30)
InChI Key:
XGWHJYRQOZTVLS-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)OC(C)(C)C)NC(=O)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.3g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
476.618g/mol
Monoisotopic Mass:
476.3g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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