Chemical ID: 5999145

CC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3CCCCC3)c4ccccc4
Chemical ID:
5999145
Name [?]:
3-(isobutylcarbamoylmethyl)-N,N-bis[3-(isobutylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3CCCCC3)c4ccccc4
InChi [?]:
InChI=1/C26H39N5O3/c1-20(2)17-27-23(32)18-30-19-31(22-11-7-4-8-12-22)26(24(30)33)13-15-29(16-14-26)25(34)28-21-9-5-3-6-10-21/h4,7-8,11-12,20-21H,3,5-6,9-10,13-19H2,1-2H3,(H,27,32)(H,28,34)
InChi Info:
AuxInfo=1/1/N:1,3,26,32,25,27,31,33,24,28,30,34,15,19,16,18,4,8,10,2,23,29,6,13,20,12,5,22,17,9,11,7,14,21/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s24;s25;s26;s23s27;s11;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H39N5O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.5866
Area:714.357
Solvation:-4.27229
Coulombic:-76.8321
Bond Count [?]
All:37
Single:31
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:469.62
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.13
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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