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Chemical ID: 6692034

c1ccc(cc1)COC(=O)CC(C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3

Chemical ID:

6692034

Name [?]:

dibenzyl 2-benzyloxycarbonylaminobutanedioate

SMILES [?]:

c1ccc(cc1)COC(=O)CC(C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3

InChi [?]:

InChI=1/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,20,31,2,6,19,21,30,32,3,5,18,22,29,33,11,7,16,27,4,17,28,12,9,13,24,23,10,14,25,8,15,26/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33cCCCCCCCOCOCCCOOCCCCCCCNCOOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅NO₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9023
Area:	748.227
Solvation:	-4.80334
Coulombic:	-74.3661

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	447.48
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.68
LogP (Chemaxon):	4.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value