Chemical ID: 3965923

CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-]
Chemical ID:
3965923
Name [?]:
4-(carbamoyloxymethyl)-8-[2-(2-furyl)-2-methoxyimino-acetyl]amino-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylate
SMILES [?]:
CON=C(c1ccco1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-]
InChi [?]:
InChI=1/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,6,8,22,20,19,5,4,13,18,10,16,14,27,24,26,12,3,15,11,17,28,29,25,2,9,23,21/E:(23,24)/rA:29cCONCCCCCOCONCCNCOCCCSCOCONCOO-/rB:s1;s2;w3;s4;d5;s6;d7;s5s8;s4;d10;s10;s12;s13;s14;s13s15;d16;s15;d18;s19;s14s20;s19;s22;s23;d24;s24;s18;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N4O8S-
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:-32.7689
Area:625.34
Solvation:-48.4024
Coulombic:-86.0054
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:423.378
H-Bond Donors:3
H-Bond Acceptors:11
XLogP:-1.28
LogP (Chemaxon):-0.55

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Descriptor Annotations

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