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Chemical ID: 4930569
Chemical ID:
4930569
Name [?]:
N-[2-(1H-imidazol-4-yl)-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]carbonyl-ethyl]-5-oxo-pyrrolidine-2-carboxamide
SMILES [?]:
CNC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3
InChi [?]:
InChI=1/C17H24N6O4/c1-18-16(26)13-3-2-6-23(13)17(27)12(7-10-8-19-9-20-10)22-15(25)11-4-5-14(24)21-11/h8-9,11-13H,2-7H2,1H3,(H,18,26)(H,19,20)(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,7,6,23,24,8,13,15,17,14,22,12,5,25,20,3,10,2,16,18,27,19,9,26,21,4,11/rA:27cCNCOCCCCNCOCCCCNCNNCOCCCCON/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s12;s13;d14;s15;s16;s14d17;s12;s19;d20;s20;s22;s23;s24;d25;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N6O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.54592 |
Area: | 570.746 |
Solvation: | -6.72273 |
Coulombic: | -89.7667 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.41 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | -1.71 |
LogP (Chemaxon): | -2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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