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138509-84-9 | Butanoic acid, 4-[[6,8-bis(acetylthio)-1-oxooctyl]amino]-3-hydroxy-
CAS No: 138509-84-9 Catalog No: AG0019BS MDL No:
Product Description
Catalog Number:
AG0019BS
Chemical Name:
Butanoic acid, 4-[[6,8-bis(acetylthio)-1-oxooctyl]amino]-3-hydroxy-
CAS Number:
138509-84-9
Molecular Formula:
C16H27NO6S2
Molecular Weight:
393.5187
IUPAC Name:
4-[6,8-bis(acetylsulfanyl)octanoylamino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C16H27NO6S2/c1-11(18)24-8-7-14(25-12(2)19)5-3-4-6-15(21)17-10-13(20)9-16(22)23/h13-14,20H,3-10H2,1-2H3,(H,17,21)(H,22,23)
InChI Key:
VZOMOXNFVPNXAI-UHFFFAOYSA-N
SMILES:
O=C(NCC(CC(=O)O)O)CCCCC(SC(=O)C)CCSC(=O)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.513g/mol
Monoisotopic Mass:
393.128g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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