(6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid

C171H140N13O43S3+ — CID 160726659

About (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid

(6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid (PubChem CID 160726659) has the molecular formula C171H140N13O43S3+ and a molecular weight of 3161.25 g/mol. Its IUPAC name is (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid.

Molecular Properties

• Compound Name: (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid
• PubChem CID: 160726659
• Molecular Formula: C171H140N13O43S3+
• Molecular Weight: 3161.25 g/mol
• Exact Mass: 3158.83
• IUPAC Name: (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid
• SMILES: CO[C@@]1(CC(=O)Cc2ccccc2)C(=O)N2C(C(=O)O)=C(COc3ccc(COc4ccc5c(-c6ccc(OCCCC(=O)c7cc([N+](=O)[O-])cc([N+](=O)[O-])c7)cc6C)c6ccc(=O)cc-6oc5c4)cc3)C3(CC3)S[C@@H]21.Cc1cc(OCCCC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccc(OCC4=C(C(=O)O)N5C(=O)[C@@H](CC(=O)Cc6ccccc6)[C@H]5SC45CC5)cc3)ccc12.Cc1cc(OCC[N+]2=CC(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)N=N2)ccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccc(OCC4=C(C(=O)O)N5C(=O)[C@@H](CC(=O)Cc6ccccc6)[C@H]5SC45CC5)cc3)ccc12
• InChI: InChI=1S/C58H47N7O14S.C57H47N3O15S.C56H45N3O14S/c1-33-21-43(76-20-19-62-30-37(60-61-62)29-59-54(68)36-23-38(64(72)73)25-39(24-36)65(74)75)12-15-45(33)52-46-14-9-40(66)27-50(46)79-51-28-44(13-16-47(51)52)77-31-35-7-10-42(11-8-35)78-32-49-53(57(70)71)63-55(69)48(56(63)80-58(49)17-18-58)26-41(67)22-34-5-3-2-4-6-34;1-33-23-42(72-22-6-9-48(63)36-25-37(59(67)68)27-38(26-36)60(69)70)15-18-44(33)51-45-17-12-39(61)28-49(45)75-50-29-43(16-19-46(50)51)73-31-35-10-13-41(14-11-35)74-32-47-52(53(64)65)58-54(66)57(71-2,55(58)76-56(47)20-21-56)30-40(62)24-34-7-4-3-5-8-34;1-32-22-41(70-21-5-8-48(62)35-24-36(58(66)67)26-37(25-35)59(68)69)14-17-43(32)51-44-16-11-38(60)28-49(44)73-50-29-42(15-18-45(50)51)71-30-34-9-12-40(13-10-34)72-31-47-52(55(64)65)57-53(63)46(54(57)74-56(47)19-20-56)27-39(61)23-33-6-3-2-4-7-33/h2-16,21,23-25,27-28,30,37,48,56H,17-20,22,26,29,31-32H2,1H3,(H-,59,68,70,71);3-5,7-8,10-19,23,25-29,55H,6,9,20-22,24,30-32H2,1-2H3,(H,64,65);2-4,6-7,9-18,22,24-26,28-29,46,54H,5,8,19-21,23,27,30-31H2,1H3,(H,64,65)/p+1/t37?,48-,56-;55-,57+;46-,54-/m111/s1
• InChIKey: UHJBRSWIPQEKNW-GOSLZEAGSA-O
• XLogP: 29.25
• TPSA: 756.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 62
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3161.25
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid?

The IUPAC name of (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid (CID 160726659) is (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid.

What is the SMILES notation for (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid?

The canonical SMILES for (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid is CO[C@@]1(CC(=O)Cc2ccccc2)C(=O)N2C(C(=O)O)=C(COc3ccc(COc4ccc5c(-c6ccc(OCCCC(=O)c7cc([N+](=O)[O-])cc([N+](=O)[O-])c7)cc6C)c6ccc(=O)cc-6oc5c4)cc3)C3(CC3)S[C@@H]21.Cc1cc(OCCCC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccc(OCC4=C(C(=O)O)N5C(=O)[C@@H](CC(=O)Cc6ccccc6)[C@H]5SC45CC5)cc3)ccc12.Cc1cc(OCC[N+]2=CC(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)N=N2)ccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccc(OCC4=C(C(=O)O)N5C(=O)[C@@H](CC(=O)Cc6ccccc6)[C@H]5SC45CC5)cc3)ccc12.

What is the InChIKey of (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid?

The InChIKey is UHJBRSWIPQEKNW-GOSLZEAGSA-O. The full InChI is InChI=1S/C58H47N7O14S.C57H47N3O15S.C56H45N3O14S/c1-33-21-43(76-20-19-62-30-37(60-61-62)29-59-54(68)36-23-38(64(72)73)25-39(24-36)65(74)75)12-15-45(33)52-46-14-9-40(66)27-50(46)79-51-28-44(13-16-47(51)52)77-31-35-7-10-42(11-8-35)78-32-49-53(57(70)71)63-55(69)48(56(63)80-58(49)17-18-58)26-41(67)22-34-5-3-2-4-6-34;1-33-23-42(72-22-6-9-48(63)36-25-37(59(67)68)27-38(26-36)60(69)70)15-18-44(33)51-45-17-12-39(61)28-49(45)75-50-29-43(16-19-46(50)51)73-31-35-10-13-41(14-11-35)74-32-47-52(53(64)65)58-54(66)57(71-2,55(58)76-56(47)20-21-56)30-40(62)24-34-7-4-3-5-8-34;1-32-22-41(70-21-5-8-48(62)35-24-36(58(66)67)26-37(25-35)59(68)69)14-17-43(32)51-44-16-11-38(60)28-49(44)73-50-29-42(15-18-45(50)51)71-30-34-9-12-40(13-10-34)72-31-47-52(55(64)65)57-53(63)46(54(57)74-56(47)19-20-56)27-39(61)23-33-6-3-2-4-7-33/h2-16,21,23-25,27-28,30,37,48,56H,17-20,22,26,29,31-32H2,1H3,(H-,59,68,70,71);3-5,7-8,10-19,23,25-29,55H,6,9,20-22,24,30-32H2,1-2H3,(H,64,65);2-4,6-7,9-18,22,24-26,28-29,46,54H,5,8,19-21,23,27,30-31H2,1H3,(H,64,65)/p+1/t37?,48-,56-;55-,57+;46-,54-/m111/s1.

What are the key properties of (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid?

(6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid has a molecular weight of 3161.25 g/mol, XLogP of 29.25, 62 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,7R)-3-[[4-[[9-[4-[2-[4-[[(3,5-dinitrobenzoyl)amino]methyl]-4H-triazol-1-ium-1-yl]ethoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7S)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-7-methoxy-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid;(6R,7R)-3-[[4-[[9-[4-[4-(3,5-dinitrophenyl)-4-oxobutoxy]-2-methylphenyl]-6-oxoxanthen-3-yl]oxymethyl]phenoxy]methyl]-8-oxo-7-(2-oxo-3-phenylpropyl)spiro[5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,1'-cyclopropane]-2-carboxylic acid is sourced from PubChem (CID 160726659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).