(4R,6S)-4-[4-[[(2R)-2-azanyl-3-chloranyl-propanoyl]amino]butyl]-3-(2-cyanoethylsulfanyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,6S)-4-[4-[[(2R)-2-azanyl-3-chloranyl-propanoyl]amino]butyl]-3-(2-cyanoethylsulfanyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,6S)-4-[4-[[(2R)-2-amino-3-chloro-propanoyl]amino]butyl]-3-(2-cyanoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,6S)-4-[4-[[(2R)-2-amino-3-chloro-1-oxopropyl]amino]butyl]-3-(2-cyanoethylthio)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,6S)-4-[4-[[(2R)-2-amino-3-chloropropanoyl]amino]butyl]-3-(2-cyanoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,6S)-4-[4-[[(2R)-2-amino-3-chloro-propanoyl]amino]butyl]-3-(2-cyanoethylthio)-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H27ClN4O5S MolecularWeight: 458.95948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SCCC#N)CCCCNC(=O)C(CCl)N)O

Isomeric SMILES

C[C@H]([C@@H]1C2[C@H](C(=C(N2C1=O)C(=O)O)SCCC#N)CCCCNC(=O)[C@H](CCl)N)O

InChI

InChI=1S/C19H27ClN4O5S/c1-10(25)13-14-11(5-2-3-7-23-17(26)12(22)9-20)16(30-8-4-6-21)15(19(28)29)24(14)18(13)27/h10-14,25H,2-5,7-9,22H2,1H3,(H,23,26)(H,28,29)/t10-,11-,12+,13-,14?/m1/s1