(4R,5S,6S)-3-[[(4R)-1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]methylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[[(4R)-1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-2,5-bis(oxidanylidene)imidazolidin-4-yl]methylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[[(4R)-1-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-2,5-dioxo-imidazolidin-4-yl]methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[[(4R)-1-[1-(1-azepanyl)-1-oxopropan-2-yl]-2,5-dioxo-4-imidazolidinyl]methylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[[(4R)-1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[[(4R)-1-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-2,5-diketo-imidazolidin-4-yl]methylthio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C23H32N4O7S MolecularWeight: 508.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCC3C(=O)N(C(=O)N3)C(C)C(=O)N4CCCCCC4)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC[C@H]3C(=O)N(C(=O)N3)C(C)C(=O)N4CCCCCC4)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C23H32N4O7S/c1-11-16-15(13(3)28)21(31)27(16)17(22(32)33)18(11)35-10-14-20(30)26(23(34)24-14)12(2)19(29)25-8-6-4-5-7-9-25/h11-16,28H,4-10H2,1-3H3,(H,24,34)(H,32,33)/t11-,12?,13-,14+,15-,16-/m1/s1