2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid

C₁₀₉H₁₀₂N₂₀O₅₈S₅ — CID 172935589

About 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid

2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid (PubChem CID 172935589) has the molecular formula C₁₀₉H₁₀₂N₂₀O₅₈S₅ and a molecular weight of 2780.43 g/mol. Its IUPAC name is 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid
• PubChem CID: 172935589
• Molecular Formula: C₁₀₉H₁₀₂N₂₀O₅₈S₅
• Molecular Weight: 2780.43 g/mol
• Exact Mass: 2778.43
• IUPAC Name: 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid
• SMILES: CC(C)(O/N=C(\C(=O)C[C@H]1CON(C2(C(=O)O)C[C@H](N3C(=O)c4cc(O)c(O)cc4S3(=O)=O)C(=O)O2)C1=O)c1csc(N)n1)C(=O)O.CC1(C)CCC(O/N=C(\C(=O)C[C@H]2CON(C3(C(=O)O)C[C@H](N4C(=O)c5cc(O)c(O)cc5C4=O)C(=O)O3)C2=O)c2csc(N)n2)(C(=O)O)CC1.Cc1cc2c(cc1O)C(=O)N([C@@H]1CC(C(=O)O)(N3OC[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)C3=O)OC1=O)C2=O.Nc1nc(/C(=N/OC(CO)(CO)C(=O)O)C(=O)C[C@H]2CON(C3(C(=O)O)CC(N4C(=O)c5cc(O)c(O)cc5C4=O)C(=O)O3)C2=O)cs1
• InChI: InChI=1S/C31H31N5O14S.C27H25N5O13S.C26H23N5O16S.C25H23N5O15S2/c1-29(2)3-5-30(6-4-29,26(44)45)50-34-21(16-12-51-28(32)33-16)20(39)7-13-11-48-36(22(13)40)31(27(46)47)10-17(25(43)49-31)35-23(41)14-8-18(37)19(38)9-15(14)24(35)42;1-10-4-12-13(6-16(10)33)21(37)31(20(12)36)15-7-27(24(41)42,44-22(15)38)32-19(35)11(8-43-32)5-17(34)18(14-9-46-25(28)29-14)30-45-26(2,3)23(39)40;27-24-28-12(6-48-24)17(29-47-25(7-32,8-33)22(41)42)16(36)1-9-5-45-31(18(9)37)26(23(43)44)4-13(21(40)46-26)30-19(38)10-2-14(34)15(35)3-11(10)20(30)39;1-24(2,21(37)38)45-28-17(11-8-46-23(26)27-11)15(33)3-9-7-43-30(18(9)34)25(22(39)40)6-12(20(36)44-25)29-19(35)10-4-13(31)14(32)5-16(10)47(29,41)42/h8-9,12-13,17,37-38H,3-7,10-11H2,1-2H3,(H2,32,33)(H,44,45)(H,46,47);4,6,9,11,15,33H,5,7-8H2,1-3H3,(H2,28,29)(H,39,40)(H,41,42);2-3,6,9,13,32-35H,1,4-5,7-8H2,(H2,27,28)(H,41,42)(H,43,44);4-5,8-9,12,31-32H,3,6-7H2,1-2H3,(H2,26,27)(H,37,38)(H,39,40)/b34-21-;30-18-;29-17-;28-17-/t13-,17-,31?;11-,15+,27?;9-,13?,26?;9-,12-,25?/m0000/s1
• InChIKey: MYAITMJSLWQZAE-VCLPAZECSA-N
• XLogP: -2.49
• TPSA: 1180.70 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 66
• Rotatable Bonds: 42
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.43
LogP ≤ 5	-2.49
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid?

The IUPAC name of 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid (CID 172935589) is 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid.

What is the SMILES notation for 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid?

The canonical SMILES for 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid is CC(C)(O/N=C(\C(=O)C[C@H]1CON(C2(C(=O)O)C[C@H](N3C(=O)c4cc(O)c(O)cc4S3(=O)=O)C(=O)O2)C1=O)c1csc(N)n1)C(=O)O.CC1(C)CCC(O/N=C(\C(=O)C[C@H]2CON(C3(C(=O)O)C[C@H](N4C(=O)c5cc(O)c(O)cc5C4=O)C(=O)O3)C2=O)c2csc(N)n2)(C(=O)O)CC1.Cc1cc2c(cc1O)C(=O)N([C@@H]1CC(C(=O)O)(N3OC[C@H](CC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)C3=O)OC1=O)C2=O.Nc1nc(/C(=N/OC(CO)(CO)C(=O)O)C(=O)C[C@H]2CON(C3(C(=O)O)CC(N4C(=O)c5cc(O)c(O)cc5C4=O)C(=O)O3)C2=O)cs1.

What is the InChIKey of 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid?

The InChIKey is MYAITMJSLWQZAE-VCLPAZECSA-N. The full InChI is InChI=1S/C31H31N5O14S.C27H25N5O13S.C26H23N5O16S.C25H23N5O15S2/c1-29(2)3-5-30(6-4-29,26(44)45)50-34-21(16-12-51-28(32)33-16)20(39)7-13-11-48-36(22(13)40)31(27(46)47)10-17(25(43)49-31)35-23(41)14-8-18(37)19(38)9-15(14)24(35)42;1-10-4-12-13(6-16(10)33)21(37)31(20(12)36)15-7-27(24(41)42,44-22(15)38)32-19(35)11(8-43-32)5-17(34)18(14-9-46-25(28)29-14)30-45-26(2,3)23(39)40;27-24-28-12(6-48-24)17(29-47-25(7-32,8-33)22(41)42)16(36)1-9-5-45-31(18(9)37)26(23(43)44)4-13(21(40)46-26)30-19(38)10-2-14(34)15(35)3-11(10)20(30)39;1-24(2,21(37)38)45-28-17(11-8-46-23(26)27-11)15(33)3-9-7-43-30(18(9)34)25(22(39)40)6-12(20(36)44-25)29-19(35)10-4-13(31)14(32)5-16(10)47(29,41)42/h8-9,12-13,17,37-38H,3-7,10-11H2,1-2H3,(H2,32,33)(H,44,45)(H,46,47);4,6,9,11,15,33H,5,7-8H2,1-3H3,(H2,28,29)(H,39,40)(H,41,42);2-3,6,9,13,32-35H,1,4-5,7-8H2,(H2,27,28)(H,41,42)(H,43,44);4-5,8-9,12,31-32H,3,6-7H2,1-2H3,(H2,26,27)(H,37,38)(H,39,40)/b34-21-;30-18-;29-17-;28-17-/t13-,17-,31?;11-,15+,27?;9-,13?,26?;9-,12-,25?/m0000/s1.

What are the key properties of 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid?

2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid has a molecular weight of 2780.43 g/mol, XLogP of -2.49, 42 rotatable bonds, 21 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxy-1,3-dihydroxypropan-2-yl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(1-carboxy-4,4-dimethylcyclohexyl)oxyimino-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid;(4S)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5,6-dihydroxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)-5-oxooxolane-2-carboxylic acid;(4R)-2-[(4S)-4-[(3Z)-3-(2-amino-1,3-thiazol-4-yl)-3-(2-carboxypropan-2-yloxyimino)-2-oxopropyl]-3-oxo-1,2-oxazolidin-2-yl]-4-(5-hydroxy-6-methyl-1,3-dioxoisoindol-2-yl)-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 172935589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172935589 — identifiers, structure, computed properties (public domain)

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