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Home > Aldehydes > 147395-39-9
147395-39-9 | AC-TYR-VAL-ALA-ASP(OTBU)-ALDEHYDE-DIMETHYL ACETAL
CAS No: 147395-39-9 Catalog No: AG00ABBK MDL No:
Product Description
Catalog Number:
AG00ABBK
Chemical Name:
AC-TYR-VAL-ALA-ASP(OTBU)-ALDEHYDE-DIMETHYL ACETAL
CAS Number:
147395-39-9
IUPAC Name:
tert-butyl (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4,4-dimethoxybutanoate
InChI:
InChI=1S/C29H46N4O9/c1-16(2)24(33-26(38)21(31-18(4)34)14-19-10-12-20(35)13-11-19)27(39)30-17(3)25(37)32-22(28(40-8)41-9)15-23(36)42-29(5,6)7/h10-13,16-17,21-22,24,28,35H,14-15H2,1-9H3,(H,30,39)(H,31,34)(H,32,37)(H,33,38)/t17-,21-,22-,24-/m0/s1
InChI Key:
HBQDJYPWERONJL-RTRGAHGLSA-N
Properties
Complexity:
909
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
594.326g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
594.706g/mol
Monoisotopic Mass:
594.326g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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