Chemical ID: 4930569

CNC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3
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

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Descriptor Annotations

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