Chemical ID: 4569098

Cc1c(ccc2c1oc(=O)c3c2CCCC3)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OC(C)(C)C
Chemical ID:
4569098
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCCC3)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C30H32N2O6/c1-17-25(14-13-21-20-10-5-6-11-22(20)27(33)37-26(17)21)36-28(34)24(32-29(35)38-30(2,3)4)15-18-16-31-23-12-8-7-9-19(18)23/h7-9,12-14,16,24,31H,5-6,10-11,15H2,1-4H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,36,37,38,14,15,28,29,27,13,16,30,5,4,21,23,2,22,26,12,6,11,25,20,3,7,9,18,32,35,24,31,10,19,33,17,8,34/E:(2,3,4)/rA:38cCCCCCCCOCOCCCCCCOCOCCCCNCCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s11s15;s3;s17;d18;s18;s20;s21;d22;s23;s24;s22s25;d26;s27;d28;d25s29;s20;s31;d32;s32;s34;s35;s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.4348
Area:713.826
Solvation:-4.41081
Coulombic:-82.81
Bond Count [?]
All:42
Single:31
Double:11
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:516.585
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.56
LogP (Chemaxon):6.31

Name Annotations

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Descriptor Annotations

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