2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

C148H241N17O47S — CID 159032280

About 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide

2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (PubChem CID 159032280) has the molecular formula C148H241N17O47S and a molecular weight of 3042.70 g/mol. Its IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• PubChem CID: 159032280
• Molecular Formula: C148H241N17O47S
• Molecular Weight: 3042.70 g/mol
• Exact Mass: 3040.67
• IUPAC Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide
• SMILES: CC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1)CC(=O)O.CC(=O)SCC(=O)CCC(=O)NCC(=O)CCC(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1.Cc1ccc(C(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]2Cc3ccc(cc3)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)cn1
• InChI: InChI=1S/C53H89N7O19.C50H81N5O16S.C45H71N5O12/c1-40(2)33-45-44(53(71)57-72)7-4-22-79-43-11-9-42(10-12-43)34-46(56-52(45)70)47(62)8-5-20-73-25-29-77-31-27-75-23-14-54-13-6-21-74-26-30-78-32-28-76-24-15-55-48(63)36-58(16-18-59(35-41(3)61)37-49(64)65)17-19-60(38-50(66)67)39-51(68)69;1-37(2)33-44-43(50(63)55-64)7-4-22-71-42-13-9-39(10-14-42)34-45(54-49(44)62)46(59)8-5-20-65-25-29-69-31-27-67-23-18-51-17-6-21-66-26-30-70-32-28-68-24-19-52-47(60)15-11-40(57)35-53-48(61)16-12-41(58)36-72-38(3)56;1-34(2)31-40-39(45(54)50-55)7-4-20-62-38-13-10-36(11-14-38)32-41(49-44(40)53)42(51)8-5-18-56-23-27-60-29-25-58-21-16-46-15-6-19-57-24-28-61-30-26-59-22-17-47-43(52)37-12-9-35(3)48-33-37/h9-12,40,44-46,54,72H,4-8,13-39H2,1-3H3,(H,55,63)(H,56,70)(H,57,71)(H,64,65)(H,66,67)(H,68,69);9-10,13-14,37,43-45,51,64H,4-8,11-12,15-36H2,1-3H3,(H,52,60)(H,53,61)(H,54,62)(H,55,63);9-14,33-34,39-41,46,55H,4-8,15-32H2,1-3H3,(H,47,52)(H,49,53)(H,50,54)/t44-,45+,46-;43-,44+,45-;39-,40+,41-/m000/s1
• InChIKey: JVAMUFWSUHRWRU-VFFDRWBVSA-N
• XLogP: 5.51
• TPSA: 835.61 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 52
• Rotatable Bonds: 117
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3042.70
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide (CID 159032280) is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide.

What is the SMILES notation for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The canonical SMILES for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is CC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1)CC(=O)O.CC(=O)SCC(=O)CCC(=O)NCC(=O)CCC(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1.Cc1ccc(C(=O)NCCOCCOCCOCCCNCCOCCOCCOCCCC(=O)[C@@H]2Cc3ccc(cc3)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)cn1.

What is the InChIKey of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

The InChIKey is JVAMUFWSUHRWRU-VFFDRWBVSA-N. The full InChI is InChI=1S/C53H89N7O19.C50H81N5O16S.C45H71N5O12/c1-40(2)33-45-44(53(71)57-72)7-4-22-79-43-11-9-42(10-12-43)34-46(56-52(45)70)47(62)8-5-20-73-25-29-77-31-27-75-23-14-54-13-6-21-74-26-30-78-32-28-76-24-15-55-48(63)36-58(16-18-59(35-41(3)61)37-49(64)65)17-19-60(38-50(66)67)39-51(68)69;1-37(2)33-44-43(50(63)55-64)7-4-22-71-42-13-9-39(10-14-42)34-45(54-49(44)62)46(59)8-5-20-65-25-29-69-31-27-67-23-18-51-17-6-21-66-26-30-70-32-28-68-24-19-52-47(60)15-11-40(57)35-53-48(61)16-12-41(58)36-72-38(3)56;1-34(2)31-40-39(45(54)50-55)7-4-20-62-38-13-10-36(11-14-38)32-41(49-44(40)53)42(51)8-5-18-56-23-27-60-29-25-58-21-16-46-15-6-19-57-24-28-61-30-26-59-22-17-47-43(52)37-12-9-35(3)48-33-37/h9-12,40,44-46,54,72H,4-8,13-39H2,1-3H3,(H,55,63)(H,56,70)(H,57,71)(H,64,65)(H,66,67)(H,68,69);9-10,13-14,37,43-45,51,64H,4-8,11-12,15-36H2,1-3H3,(H,52,60)(H,53,61)(H,54,62)(H,55,63);9-14,33-34,39-41,46,55H,4-8,15-32H2,1-3H3,(H,47,52)(H,49,53)(H,50,54)/t44-,45+,46-;43-,44+,45-;39-,40+,41-/m000/s1.

What are the key properties of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide?

2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide has a molecular weight of 3042.70 g/mol, XLogP of 5.51, 117 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-(2-oxopropyl)amino]acetic acid;S-[5-[[5-[2-[2-[2-[3-[2-[2-[2-[4-[(6S,7R,10S)-6-(hydroxycarbamoyl)-7-(2-methylpropyl)-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-10-yl]-4-oxobutoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethylamino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl] ethanethioate;(6S,7R,10S)-N-hydroxy-7-(2-methylpropyl)-10-[4-[2-[2-[2-[3-[2-[2-[2-[(6-methylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethoxy]propylamino]ethoxy]ethoxy]ethoxy]butanoyl]-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6-carboxamide is sourced from PubChem (CID 159032280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).