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Chemical ID: 6691844

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

Chemical ID:

6691844

Name [?]:

4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid

SMILES [?]:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

InChi [?]:

InChI=1/C26H30N2O6/c1-25(2,3)34-24(32)28-14-12-26(13-15-28,22(29)30)27-23(31)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,3,4,26,33,25,32,27,34,24,31,10,12,9,13,21,28,29,23,30,22,14,18,6,2,11,17,8,15,16,19,7,20,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)(29,30)/rA:34cCCCCOCONCCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s11;s17;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s28;s22s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5198
Area:	691.945
Solvation:	-3.77883
Coulombic:	-92.174

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	466.526
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.95
LogP (Chemaxon):	3.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value