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

Systemtic Name: (4R,5S,6S)-4-methyl-3-[(3S,5R)-5-[4-[(E)-3-(methylamino)prop-1-enyl]phenyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[4-[(E)-3-(methylamino)prop-1-enyl]phenyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5R)-5-[4-[(E)-3-(methylamino)prop-1-enyl]phenyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5R)-5-[4-[(E)-3-(methylamino)prop-1-enyl]phenyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[(3S,5R)-5-[4-[(E)-3-(methylamino)prop-1-enyl]phenyl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Formula: C24H32ClN3O4S MolecularWeight: 494.04658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4=CC=C(C=C4)C=CCNC)C(=O)O)C(C)O.Cl

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)/C=C/CNC)C(=O)O)[C@@H](C)O.Cl

InChI

InChI=1S/C24H31N3O4S.ClH/c1-13-20-19(14(2)28)23(29)27(20)21(24(30)31)22(13)32-17-11-18(26-12-17)16-8-6-15(7-9-16)5-4-10-25-3;/h4-9,13-14,17-20,25-26,28H,10-12H2,1-3H3,(H,30,31);1H/b5-4+;/t13-,14-,17+,18-,19-,20-;/m1./s1