Chemical ID: 6221900

CC(C)N1CCc2c(sc(c2C(=O)OC)NC(=O)CN3C(=O)CCC3=O)C1
Chemical ID:
6221900
Name [?]:
methyl 8-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino-4-isopropyl-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
SMILES [?]:
CC(C)N1CCc2c(sc(c2C(=O)OC)NC(=O)CN3C(=O)CCC3=O)C1
InChi [?]:
InChI=1/C18H23N3O5S/c1-10(2)20-7-6-11-12(8-20)27-17(16(11)18(25)26-3)19-13(22)9-21-14(23)4-5-15(21)24/h10H,4-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,3,15,23,24,6,5,27,19,2,7,8,17,21,25,11,10,12,16,4,20,18,22,26,13,14,9/E:(1,2)(4,5)(14,15)(23,24)/rA:27cCCCNCCCCSCCCOOCNCOCNCOCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;s9;s7d10;s11;d12;s12;s14;s10;s16;d17;s17;s19;s20;d21;s21;s23;s20s24;d25;s4s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.21374
Area:600.017
Solvation:-5.78667
Coulombic:-65.064
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.458
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:-0.35
LogP (Chemaxon):0.42

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