(2S,5R,6R)-6-[[(2R)-2-[[[2,5-bis(chloranyl)-3,4-bis(oxidanyl)phenyl]carbonyl-(3-oxidanylpropyl)carbamoyl]amino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-[[[2,5-bis(chloranyl)-3,4-bis(oxidanyl)phenyl]carbonyl-(3-oxidanylpropyl)carbamoyl]amino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxy-benzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[(2R)-2-[[[[(2,5-dichloro-3,4-dihydroxyphenyl)-oxomethyl]-(3-hydroxypropyl)amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[(2R)-2-[[(2,5-dichloro-3,4-dihydroxy-benzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C27H28Cl2N4O9S MolecularWeight: 655.50362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=CC(=C(C(=C4Cl)O)O)Cl)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=CC(=C(C(=C4Cl)O)O)Cl)C(=O)O)C

InChI

InChI=1S/C27H28Cl2N4O9S/c1-27(2)20(25(40)41)33-23(39)17(24(33)43-27)30-21(37)16(12-7-4-3-5-8-12)31-26(42)32(9-6-10-34)22(38)13-11-14(28)18(35)19(36)15(13)29/h3-5,7-8,11,16-17,20,24,34-36H,6,9-10H2,1-2H3,(H,30,37)(H,31,42)(H,40,41)/t16-,17-,20+,24-/m1/s1