(2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine

C112H183N17O49 — CID 161222412

About (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine

(2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 161222412) has the molecular formula C112H183N17O49 and a molecular weight of 2551.77 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

• Compound Name: (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
• PubChem CID: 161222412
• Molecular Formula: C112H183N17O49
• Molecular Weight: 2551.77 g/mol
• Exact Mass: 2550.24
• IUPAC Name: (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
• SMILES: C#CCOCCOCCOCCOCCN.C#CCOCCOCCOCCOCCNC(=O)[C@@H](CCCCC(=O)OCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO)NC(=O)OCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1C)[C@H](O)CO.C#CCOCCOCCOCCOCCNC(=O)[C@H](N)CCCN.CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.COC(=O)C1=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](OCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)[C@H]2COC(=O)O2)O1
• InChI: InChI=1S/C46H75N9O22.C28H35N3O14.C16H31N3O5.2C11H21NO4/c1-4-10-68-12-14-70-16-17-71-15-13-69-11-9-51-41(62)28(55-46(67)75-21-20-73-38(31(59)24-56)37-26(2)29(53-44(47)48)22-33(76-37)42(63)64)7-5-6-8-35(61)72-18-19-74-39(32(60)25-57)40-36(52-27(3)58)30(54-45(49)50)23-34(77-40)43(65)66;1-15-19(29-16(2)30-25(33)45-28(3,4)5)13-20(24(32)38-6)43-22(15)23(21-14-41-27(35)44-21)39-11-12-40-26(34)42-18-9-7-17(8-10-18)31(36)37;1-2-7-21-9-11-23-13-14-24-12-10-22-8-6-19-16(20)15(18)4-3-5-17;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4;1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1,22-23,26,28-32,36-40,56-57,59-60H,5-21,24-25H2,2-3H3,(H,51,62)(H,52,58)(H,55,67)(H,63,64)(H,65,66)(H4,47,48,53)(H4,49,50,54);7-10,13,15,19,21-23H,11-12,14H2,1-6H3,(H,29,30,33);1,15H,3-14,17-18H2,(H,19,20);8H,5-7H2,1-4H3,(H,12,15)(H,13,14);1H,3-12H2/t26-,28-,29+,30+,31-,32-,36-,37-,38-,39-,40-;15-,19+,21-,22-,23-;15-;8-;/m1111./s1
• InChIKey: UXROOBZFMHKCGW-QEVCFSILSA-N
• XLogP: -1.26
• TPSA: 947.27 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 52
• Rotatable Bonds: 83
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.77
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?

The IUPAC name of (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine (CID 161222412) is (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine.

What is the SMILES notation for (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?

The canonical SMILES for (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine is C#CCOCCOCCOCCOCCN.C#CCOCCOCCOCCOCCNC(=O)[C@@H](CCCCC(=O)OCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O)[C@H](O)CO)NC(=O)OCCO[C@@H]([C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1C)[C@H](O)CO.C#CCOCCOCCOCCOCCNC(=O)[C@H](N)CCCN.CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.COC(=O)C1=C[C@H](/N=C(\C)NC(=O)OC(C)(C)C)[C@@H](C)[C@H]([C@H](OCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)[C@H]2COC(=O)O2)O1.

What is the InChIKey of (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?

The InChIKey is UXROOBZFMHKCGW-QEVCFSILSA-N. The full InChI is InChI=1S/C46H75N9O22.C28H35N3O14.C16H31N3O5.2C11H21NO4/c1-4-10-68-12-14-70-16-17-71-15-13-69-11-9-51-41(62)28(55-46(67)75-21-20-73-38(31(59)24-56)37-26(2)29(53-44(47)48)22-33(76-37)42(63)64)7-5-6-8-35(61)72-18-19-74-39(32(60)25-57)40-36(52-27(3)58)30(54-45(49)50)23-34(77-40)43(65)66;1-15-19(29-16(2)30-25(33)45-28(3,4)5)13-20(24(32)38-6)43-22(15)23(21-14-41-27(35)44-21)39-11-12-40-26(34)42-18-9-7-17(8-10-18)31(36)37;1-2-7-21-9-11-23-13-14-24-12-10-22-8-6-19-16(20)15(18)4-3-5-17;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4;1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1,22-23,26,28-32,36-40,56-57,59-60H,5-21,24-25H2,2-3H3,(H,51,62)(H,52,58)(H,55,67)(H,63,64)(H,65,66)(H4,47,48,53)(H4,49,50,54);7-10,13,15,19,21-23H,11-12,14H2,1-6H3,(H,29,30,33);1,15H,3-14,17-18H2,(H,19,20);8H,5-7H2,1-4H3,(H,12,15)(H,13,14);1H,3-12H2/t26-,28-,29+,30+,31-,32-,36-,37-,38-,39-,40-;15-,19+,21-,22-,23-;15-;8-;/m1111./s1.

What are the key properties of (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?

(2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 2551.77 g/mol, XLogP of -1.26, 83 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-2-[(1R,2R)-1-[2-[[(2R)-7-[2-[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]ethoxy]-1,7-dioxo-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]heptan-2-yl]carbamoyloxy]ethoxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3-methyl-3,4-dihydro-2H-pyran-6-carboxylic acid;(2R)-2,5-diamino-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide;methyl (2R,3R,4R)-3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylideneamino]-2-[(S)-2-(4-nitrophenoxy)carbonyloxyethoxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-3,4-dihydro-2H-pyran-6-carboxylate;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 161222412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).