Chemical ID: 6671806

CCCCC(C(=O)OCc1ccccc1)NC(=O)C2CCCN2C(=O)OCc3ccccc3
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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