(4R,5S,6S)-3-[(3S,5R)-5-[4-[[(2-azanyl-2-oxidanylidene-ethyl)amino]methyl]phenyl]pyrrolidin-3-yl]sulfanyl-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-[(3S,5R)-5-[4-[[(2-azanyl-2-oxidanylidene-ethyl)amino]methyl]phenyl]pyrrolidin-3-yl]sulfanyl-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-[(3S,5R)-5-[4-[[(2-amino-2-oxo-ethyl)amino]methyl]phenyl]pyrrolidin-3-yl]sulfanyl-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-[[(3S,5R)-5-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenyl]-3-pyrrolidinyl]thio]-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-[(3S,5R)-5-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenyl]pyrrolidin-3-yl]sulfanyl-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-[[(3S,5R)-5-[4-[[(2-amino-2-keto-ethyl)amino]methyl]phenyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=CC=C(C=C4)CNCC(=O)N)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)C4=CC=C(C=C4)CNCC(=O)N)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C23H30N4O5S/c1-11-19-18(12(2)28)22(30)27(19)20(23(31)32)21(11)33-15-7-16(26-9-15)14-5-3-13(4-6-14)8-25-10-17(24)29/h3-6,11-12,15-16,18-19,25-26,28H,7-10H2,1-2H3,(H2,24,29)(H,31,32)/t11-,12-,15+,16-,18-,19-/m1/s1