(2S,5R,6R)-6-[[(2R)-2-[[4-(2-hydroxyethylcarbamoyl)-2,5-bis(oxidanyl)phenyl]amino]-2-(4-hydroxyphenyl)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-[[4-(2-hydroxyethylcarbamoyl)-2,5-bis(oxidanyl)phenyl]amino]-2-(4-hydroxyphenyl)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-dihydroxy-4-(2-hydroxyethylcarbamoyl)anilino]-2-(4-hydroxyphenyl)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-dihydroxy-4-[(2-hydroxyethylamino)-oxomethyl]anilino]-2-(4-hydroxyphenyl)-1-oxoethyl]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-dihydroxy-4-(2-hydroxyethylcarbamoyl)anilino]-2-(4-hydroxyphenyl)acetyl]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-dihydroxy-4-(2-hydroxyethylcarbamoyl)anilino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C25H28N4O9S MolecularWeight: 560.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC4=C(C=C(C(=C4)O)C(=O)NCCO)O)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC4=C(C=C(C(=C4)O)C(=O)NCCO)O)C(=O)O)C

InChI

InChI=1S/C25H28N4O9S/c1-25(2)19(24(37)38)29-22(36)18(23(29)39-25)28-21(35)17(11-3-5-12(31)6-4-11)27-14-10-15(32)13(9-16(14)33)20(34)26-7-8-30/h3-6,9-10,17-19,23,27,30-33H,7-8H2,1-2H3,(H,26,34)(H,28,35)(H,37,38)/t17-,18-,19+,23-/m1/s1