Chemical ID: 4567989

Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OC(C)(C)C
Chemical ID:
4567989
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C29H30N2O6/c1-16-24(13-12-20-19-9-7-10-21(19)26(32)36-25(16)20)35-27(33)23(31-28(34)37-29(2,3)4)14-17-15-30-22-11-6-5-8-18(17)22/h5-6,8,11-13,15,23,30H,7,9-10,14H2,1-4H3,(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,35,36,37,27,28,14,26,13,15,29,5,4,20,22,2,21,25,12,6,11,24,19,3,7,9,17,31,34,23,30,10,18,32,16,8,33/E:(2,3,4)/rA:37cCCCCCCCOCOCCCCCOCOCCCCNCCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;d17;s17;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s19;s30;d31;s31;s33;s34;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.0329
Area:700.147
Solvation:-4.4708
Coulombic:-82.428
Bond Count [?]
All:41
Single:30
Double:11
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:502.558
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.99
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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