4-(3-azanylpropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-(3-azanylpropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-keto-3-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNC3)CCCN)O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNC3)CCCN)O

InChI

InChI=1S/C16H25N3O4S/c1-8(20)11-12-10(3-2-5-17)14(24-9-4-6-18-7-9)13(16(22)23)19(12)15(11)21/h8-12,18,20H,2-7,17H2,1H3,(H,22,23)