Chemical ID: 7470456

c1ccc(cc1)CCCOC(=O)CCCC(=O)NCCCNC(=O)CCCC(=O)OCCCc2ccccc2
Chemical ID:
7470456
Name [?]:
3-phenylpropyl 5-oxo-5-[3-[4-(3-phenylpropoxycarbonyl)butanoylamino]propylamino]pentanoate
SMILES [?]:
c1ccc(cc1)CCCOC(=O)CCCC(=O)NCCCNC(=O)CCCC(=O)OCCCc2ccccc2
InChi [?]:
InChI=1/C31H42N2O6/c34-28(18-7-20-30(36)38-24-9-16-26-12-3-1-4-13-26)32-22-11-23-33-29(35)19-8-21-31(37)39-25-10-17-27-14-5-2-6-15-27/h1-6,12-15H,7-11,16-25H2,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,37,2,6,36,38,14,26,8,32,20,3,5,35,39,7,33,15,25,13,27,19,21,9,31,4,34,16,23,11,28,18,22,17,24,12,29,10,30/E:(1,2)(3,4,5,6)(7,8)(9,10)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/gE:(1,2)/rA:39nCCCCCCCCCOCOCCCCONCCCNCOCCCCOOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;d23;s23;s25;s26;s27;d28;s28;s30;s31;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H42N2O6
All Atoms:81
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:16.8246
Area:955.334
Solvation:-7.05876
Coulombic:-77.7505
Bond Count [?]
All:40
Single:30
Double:10
Rotors:24
Chiral:0
Rigid Segments:14
Chemical Properties
Molecular Weight:538.675
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.12
LogP (Chemaxon):3.59

Name Annotations

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Descriptor Annotations

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