3-[3-[bis(azanyl)methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-guanidino-4-hydroxy-4-oxo-butyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[3-(diaminomethylideneamino)-4-hydroxy-4-oxobutyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[3-(diaminomethylideneamino)-4-hydroxy-4-oxobutyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-guanidino-4-hydroxy-4-keto-butyl)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N4O6S MolecularWeight: 358.37022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CCC(C(=O)O)N=C(N)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CCC(C(=O)O)N=C(N)N)C(=O)O)O

InChI

InChI=1S/C13H18N4O6S/c1-4(18)7-9(19)17-8(12(22)23)6(24-10(7)17)3-2-5(11(20)21)16-13(14)15/h4-5,7,10,18H,2-3H2,1H3,(H,20,21)(H,22,23)(H4,14,15,16)