Chemical ID: 4138587

CC(C)(C)CC(=O)NC1CC(N(C1)C(=O)CC(C)(C)C)C(=O)NC(Cc2ccc(cc2)OC)C(=O)N
Chemical ID:
4138587
Name [?]:
N-[1-carbamoyl-2-(4-methoxyphenyl)-ethyl]-1-(3,3-dimethylbutanoyl)-4-(3,3-dimethylbutanoylamino)pyrrolidine-2-carboxamide
SMILES [?]:
CC(C)(C)CC(=O)NC1CC(N(C1)C(=O)CC(C)(C)C)C(=O)NC(Cc2ccc(cc2)OC)C(=O)N
InChi [?]:
InChI=1/C27H42N4O5/c1-26(2,3)14-22(32)29-18-13-21(31(16-18)23(33)15-27(4,5)6)25(35)30-20(24(28)34)12-17-8-10-19(36-7)11-9-17/h8-11,18,20-21H,12-16H2,1-7H3,(H2,28,34)(H,29,32)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,20,33,27,31,28,30,25,10,5,16,13,26,9,29,24,11,6,14,34,21,2,17,36,8,23,12,7,15,35,22,32/E:(1,2,3)(4,5,6)(8,9)(10,11)/rA:36cCCCCCCONCCCNCCOCCCCCCONCCCCCCCCOCCON/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9s12;s12;d14;s14;s16;s17;s17;s17;s11;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s24;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H42N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:3
ZAP Information [?]
Total:11.1231
Area:765.61
Solvation:-8.01714
Coulombic:-88.4324
Bond Count [?]
All:37
Single:30
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:502.646
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:3.22
LogP (Chemaxon):1.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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