(2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate

C113H188N18O45 — CID 158049248

About (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate

(2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 158049248) has the molecular formula C113H188N18O45 and a molecular weight of 2518.83 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

• Compound Name: (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate
• PubChem CID: 158049248
• Molecular Formula: C113H188N18O45
• Molecular Weight: 2518.83 g/mol
• Exact Mass: 2517.30
• IUPAC Name: (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate
• SMILES: C#CCOCCOCCOCCOCCN(CCOCCN(C)C(=C)O[C@@H]([C@@H]1OC(C(=O)OC)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C)[C@H]1COC(C)(C)O1)CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)OC)=C[C@H](NC(=C)NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)[C@H]1COC(C)(C)O1.C#CCOCCOCCOCCOCCN(CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1C)[C@H](O)CO)CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO
• InChI: InChI=1S/C67H110N8O24.C46H78N10O21/c1-21-27-84-33-35-88-37-38-89-36-34-87-32-26-75(24-30-85-28-22-73(17)47(6)92-56(52-41-90-66(13,14)96-52)55-43(2)48(39-50(93-55)59(77)82-19)68-44(3)70-61(79)98-64(7,8)9)25-31-86-29-23-74(18)63(81)95-57(53-42-91-67(15,16)97-53)58-54(72-46(5)76)49(40-51(94-58)60(78)83-20)69-45(4)71-62(80)99-65(10,11)12;1-6-12-68-18-20-72-22-23-73-21-19-71-17-11-56(9-15-69-13-7-54(4)45(66)76-38(32(60)26-57)37-28(2)30(52-43(47)48)24-34(74-37)41(62)63)10-16-70-14-8-55(5)46(67)77-39(33(61)27-58)40-36(51-29(3)59)31(53-44(49)50)25-35(75-40)42(64)65/h1,39-40,43,48-49,52-58,69H,4,6,22-38,41-42H2,2-3,5,7-20H3,(H,71,80)(H,72,76)(H,68,70,79);1,24-25,28,30-33,36-40,57-58,60-61H,7-23,26-27H2,2-5H3,(H,51,59)(H,62,63)(H,64,65)(H4,47,48,52)(H4,49,50,53)/t43-,48+,49+,52-,53-,54-,55-,56-,57-,58-;28-,30+,31+,32-,33-,36-,37-,38-,39-,40-/m11/s1
• InChIKey: FJGYXTYWAFWQJK-KBNJQZJJSA-N
• XLogP: -1.37
• TPSA: 788.34 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 78
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.83
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate?

The IUPAC name of (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate (CID 158049248) is (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate.

What is the SMILES notation for (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate?

The canonical SMILES for (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate is C#CCOCCOCCOCCOCCN(CCOCCN(C)C(=C)O[C@@H]([C@@H]1OC(C(=O)OC)=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@H]1C)[C@H]1COC(C)(C)O1)CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)OC)=C[C@H](NC(=C)NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)[C@H]1COC(C)(C)O1.C#CCOCCOCCOCCOCCN(CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1C)[C@H](O)CO)CCOCCN(C)C(=O)O[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO.

What is the InChIKey of (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate?

The InChIKey is FJGYXTYWAFWQJK-KBNJQZJJSA-N. The full InChI is InChI=1S/C67H110N8O24.C46H78N10O21/c1-21-27-84-33-35-88-37-38-89-36-34-87-32-26-75(24-30-85-28-22-73(17)47(6)92-56(52-41-90-66(13,14)96-52)55-43(2)48(39-50(93-55)59(77)82-19)68-44(3)70-61(79)98-64(7,8)9)25-31-86-29-23-74(18)63(81)95-57(53-42-91-67(15,16)97-53)58-54(72-46(5)76)49(40-51(94-58)60(78)83-20)69-45(4)71-62(80)99-65(10,11)12;1-6-12-68-18-20-72-22-23-73-21-19-71-17-11-56(9-15-69-13-7-54(4)45(66)76-38(32(60)26-57)37-28(2)30(52-43(47)48)24-34(74-37)41(62)63)10-16-70-14-8-55(5)46(67)77-39(33(61)27-58)40-36(51-29(3)59)31(53-44(49)50)25-35(75-40)42(64)65/h1,39-40,43,48-49,52-58,69H,4,6,22-38,41-42H2,2-3,5,7-20H3,(H,71,80)(H,72,76)(H,68,70,79);1,24-25,28,30-33,36-40,57-58,60-61H,7-23,26-27H2,2-5H3,(H,51,59)(H,62,63)(H,64,65)(H4,47,48,52)(H4,49,50,53)/t43-,48+,49+,52-,53-,54-,55-,56-,57-,58-;28-,30+,31+,32-,33-,36-,37-,38-,39-,40-/m11/s1.

What are the key properties of (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate?

(2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 2518.83 g/mol, XLogP of -1.37, 78 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-2-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxy-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;methyl (2R,3R,4S)-3-acetamido-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[2-[2-[2-[2-[1-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(2R,3R,4R)-6-methoxycarbonyl-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-3,4-dihydro-2H-pyran-2-yl]methoxy]ethenyl-methylamino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl-methylcarbamoyl]oxymethyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylamino]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 158049248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).