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

Systemtic Name: (4R,5S,6S)-3-[(3S,5R)-5-[4-[(1S)-1,3-bis(azanyl)-3-oxidanyl-propyl]phenyl]pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Openeye Name: (4R,5S,6S)-3-[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-hydroxy-propyl]phenyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride CAS Name: (4R,5S,6S)-3-[[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-hydroxypropyl]phenyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride IUPAC Name: (4R,5S,6S)-3-[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-hydroxypropyl]phenyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Traditional Name: (4R,5S,6S)-3-[[(3S,5R)-5-[4-[(1S)-1,3-diamino-3-hydroxy-propyl]phenyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrochloride Formula: C23H33ClN4O5S MolecularWeight: 513.04992

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H32N4O5S.ClH/c1-10-19-18(11(2)28)22(30)27(19)20(23(31)32)21(10)33-14-7-16(26-9-14)13-5-3-12(4-6-13)15(24)8-17(25)29;/h3-6,10-11,14-19,26,28-29H,7-9,24-25H2,1-2H3,(H,31,32);1H/t10-,11-,14+,15+,16-,17?,18-,19-;/m1./s1