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144481-98-1 | Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester, hydrochloride (1:1)
CAS No: 144481-98-1 Catalog No: AG001JMY MDL No:MFCD00911043
Product Description
Catalog Number:
AG001JMY
Chemical Name:
Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester, hydrochloride (1:1)
CAS Number:
144481-98-1
Molecular Formula:
C25H40ClN3O8
Molecular Weight:
546.0534
MDL Number:
MFCD00911043
IUPAC Name:
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride
InChI:
InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1
InChI Key:
DLPGJHSONYLBKP-IKGOIYPNSA-N
SMILES:
O[C@H](COc1ccc(cc1)CCC(=O)OC[C@@H]1COC(O1)(C)C)CNCCNC(=O)N1CCOCC1.Cl
UNII:
G8HQ634Y17
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
545.25g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
546.058g/mol
Monoisotopic Mass:
545.25g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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