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Chemical ID: 3979777

CC(C)(C)N1C(=O)C2C(NC(C2C1=O)(CC3CCCCC3)C(=O)O)c4ccccc4OC

Chemical ID:

3979777

Name [?]:

4-(cyclohexylmethyl)-2-(2-methoxyphenyl)-6,8-dioxo-7-tert-butyl-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid

SMILES [?]:

CC(C)(C)N1C(=O)C2C(NC(C2C1=O)(CC3CCCCC3)C(=O)O)c4ccccc4OC

InChi [?]:

InChI=1/C25H34N2O5/c1-24(2,3)27-21(28)18-19(22(27)29)25(23(30)31,14-15-10-6-5-7-11-15)26-20(18)16-12-8-9-13-17(16)32-4/h8-9,12-13,15,18-20,26H,5-7,10-11,14H2,1-4H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,3,4,32,19,18,20,27,28,17,21,26,29,15,16,25,30,8,12,9,6,13,22,2,11,10,5,7,14,23,24,31/E:(1,2,3)(6,7)(10,11)(30,31)/rA:32cCCCCNCOCCNCCCOCCCCCCCCOOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s5s12;d13;s11;s15;s16;s17;s18;s19;s16s20;s11;d22;s22;s9;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	4

ZAP Information [?]

Total:	10.1371
Area:	594.58
Solvation:	-4.72745
Coulombic:	-67.5011

Bond Count [?]

All:	35
Single:	29
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	442.548
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.74
LogP (Chemaxon):	0.41

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

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

Chemical Mix	Source	External ID	Descriptor	Value