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Chemical ID: 6671806
Chemical ID:
6671806
Name [?]:
benzyl 2-(1-benzyloxycarbonylpentylcarbamoyl)pyrrolidine-1-carboxylate
SMILES [?]:
CCCCC(C(=O)OCc1ccccc1)NC(=O)C2CCCN2C(=O)OCc3ccccc3
InChi [?]:
InChI=1/C26H32N2O5/c1-2-3-15-22(25(30)32-18-20-11-6-4-7-12-20)27-24(29)23-16-10-17-28(23)26(31)33-19-21-13-8-5-9-14-21/h4-9,11-14,22-23H,2-3,10,15-19H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,31,12,14,30,32,21,11,15,29,33,4,20,22,9,27,10,28,5,19,17,6,24,16,23,18,7,25,8,26/E:(6,7)(8,9)(11,12)(13,14)/rA:33cCCCCCCOOCCCCCCCNCOCCCCNCOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s5;s16;d17;s17;s19;s20;s21;s19s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.3103 |
Area: | 744.951 |
Solvation: | -4.31348 |
Coulombic: | -73.6658 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 452.543 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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