Chemical ID: 6584541

COc1cc(ccc1NC(=O)CCC(=O)OC)c2ccc(c(c2)OC)NC(=O)CCC(=O)OC
Chemical ID:
6584541
Name [?]:
methyl 4-[2-methoxy-4-[3-methoxy-4-(3-methoxycarbonylpropanoylamino)phenyl]-phenyl]amino-4-oxo-butanoate
SMILES [?]:
COc1cc(ccc1NC(=O)CCC(=O)OC)c2ccc(c(c2)OC)NC(=O)CCC(=O)OC
InChi [?]:
InChI=1/C24H28N2O8/c1-31-19-13-15(5-7-17(19)25-21(27)9-11-23(29)33-3)16-6-8-18(20(14-16)32-2)26-22(28)10-12-24(30)34-4/h5-8,13-14H,9-12H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,25,17,34,6,19,7,20,12,29,13,30,4,23,5,18,8,21,3,22,10,27,14,31,9,26,11,28,15,32,2,24,16,33/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:34nCOCCCCCCNCOCCCOOCCCCCCCOCNCOCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s5;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;d27;s27;s29;s30;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O8
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.3026
Area:755.893
Solvation:-7.5947
Coulombic:-88.4464
Bond Count [?]
All:35
Single:25
Double:10
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:472.488
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:1.26
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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