(4R,5S,6S)-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxo-propyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-5-[[[3-(methylamino)-3-oxopropyl]amino]-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[[(3S,5S)-5-[[3-keto-3-(methylamino)propyl]carbamoyl]pyrrolidin-3-yl]thio]-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NCCC(=O)NC)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NCCC(=O)NC)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C19H28N4O6S/c1-8-14-13(9(2)24)18(27)23(14)15(19(28)29)16(8)30-10-6-11(22-7-10)17(26)21-5-4-12(25)20-3/h8-11,13-14,22,24H,4-7H2,1-3H3,(H,20,25)(H,21,26)(H,28,29)/t8-,9-,10+,11+,13-,14-/m1/s1