Chemical ID: 4569616

Cc1c(c(=O)oc2c1ccc(c2)OC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)OCc5ccccc5)C
Chemical ID:
4569616
Name [?]:
(3,4-dimethyl-2-oxo-chromen-7-yl) 2-benzyloxycarbonylamino-3-(1H-indol-3-yl)propanoate
SMILES [?]:
Cc1c(c(=O)oc2c1ccc(c2)OC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)OCc5ccccc5)C
InChi [?]:
InChI=1/C30H26N2O6/c1-18-19(2)28(33)38-27-15-22(12-13-23(18)27)37-29(34)26(14-21-16-31-25-11-7-6-10-24(21)25)32-30(35)36-17-20-8-4-3-5-9-20/h3-13,15-16,26,31H,14,17H2,1-2H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,38,35,34,36,24,25,33,37,23,26,10,9,17,12,19,31,2,3,32,18,11,8,22,21,16,7,4,14,28,20,27,5,15,29,30,13,6/E:(4,5)(8,9)/rA:38cCCCCOOCCCCCCOCOCCCCNCCCCCCNCOOCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;d18;s19;s20;s18s21;d22;s23;d24;d21s25;s16;s27;d28;s28;s30;s31;s32;d33;s34;d35;d32s36;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.5242
Area:728.895
Solvation:-4.69815
Coulombic:-83.917
Bond Count [?]
All:42
Single:28
Double:14
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:510.537
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.15
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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