2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate

C135H239N19O52S2 — CID 159618285

About 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate

2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate (PubChem CID 159618285) has the molecular formula C135H239N19O52S2 and a molecular weight of 3024.61 g/mol. Its IUPAC name is 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate.

Molecular Properties

• Compound Name: 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate
• PubChem CID: 159618285
• Molecular Formula: C135H239N19O52S2
• Molecular Weight: 3024.61 g/mol
• Exact Mass: 3022.61
• IUPAC Name: 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate
• SMILES: CCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SCC(N)C(=O)O)C1=O)OC.CCC(CO)OC(COC(=O)NCCC(=O)N[C@H](C(=O)OC(OC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H]([C@H](C)CC(=O)N1CCC[C@H]1[C@H](C)CC(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)C(C)C)OC.CCC(CO)OC(COC(=O)NCCC(=O)O)OC
• InChI: InChI=1S/C59H101N7O15.C30H52N6O14S.C28H49N5O12S.C11H21NO7.C7H16O4/c1-18-38(11)52(40(13)31-47(70)66-29-23-26-44(66)39(12)30-46(69)61-41(14)53(71)42-24-21-20-22-25-42)64(15)55(73)49(34(3)4)63-54(72)51(36(7)8)65(16)59(76)81-57(37(9)10)80-56(74)50(35(5)6)62-45(68)27-28-60-58(75)78-33-48(77-17)79-43(19-2)32-67;1-3-20(17-37)50-27(46-2)18-49-30(45)35-7-4-23(38)32-8-9-33-25(40)6-12-47-14-15-48-13-10-34-24(39)5-11-36-26(41)16-22(28(36)42)51-19-21(31)29(43)44;1-4-20(18-34)45-26(41-2)19-44-28(40)32-8-5-22(35)29-9-10-30-24(37)7-13-42-15-16-43-14-11-31-23(36)6-12-33-25(38)17-21(46-3)27(33)39;1-3-8(6-13)19-10(17-2)7-18-11(16)12-5-4-9(14)15;1-3-6(4-8)11-7(5-9)10-2/h20-22,24-25,34-41,43-44,48-53,57,67,71H,18-19,23,26-33H2,1-17H3,(H,60,75)(H,61,69)(H,62,68)(H,63,72);20-22,27,37H,3-19,31H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)(H,35,45)(H,43,44);20-21,26,34H,4-19H2,1-3H3,(H,29,35)(H,30,37)(H,31,36)(H,32,40);8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15);6-9H,3-5H2,1-2H3/t38-,39+,40+,41+,43?,44-,48?,49-,50-,51-,52-,53+,57?;;;;/m0..../s1
• InChIKey: MNOJMLNWNCEQHS-GPRWVVOYSA-N
• XLogP: 1.42
• TPSA: 957.89 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 53
• Rotatable Bonds: 105
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3024.61
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate?

The IUPAC name of 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate (CID 159618285) is 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate.

What is the SMILES notation for 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate?

The canonical SMILES for 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate is CCC(CO)OC(CO)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SC)C1=O)OC.CCC(CO)OC(COC(=O)NCCC(=O)NCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(SCC(N)C(=O)O)C1=O)OC.CCC(CO)OC(COC(=O)NCCC(=O)N[C@H](C(=O)OC(OC(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N(C)[C@H]([C@H](C)CC(=O)N1CCC[C@H]1[C@H](C)CC(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)C(C)C)OC.CCC(CO)OC(COC(=O)NCCC(=O)O)OC.

What is the InChIKey of 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate?

The InChIKey is MNOJMLNWNCEQHS-GPRWVVOYSA-N. The full InChI is InChI=1S/C59H101N7O15.C30H52N6O14S.C28H49N5O12S.C11H21NO7.C7H16O4/c1-18-38(11)52(40(13)31-47(70)66-29-23-26-44(66)39(12)30-46(69)61-41(14)53(71)42-24-21-20-22-25-42)64(15)55(73)49(34(3)4)63-54(72)51(36(7)8)65(16)59(76)81-57(37(9)10)80-56(74)50(35(5)6)62-45(68)27-28-60-58(75)78-33-48(77-17)79-43(19-2)32-67;1-3-20(17-37)50-27(46-2)18-49-30(45)35-7-4-23(38)32-8-9-33-25(40)6-12-47-14-15-48-13-10-34-24(39)5-11-36-26(41)16-22(28(36)42)51-19-21(31)29(43)44;1-4-20(18-34)45-26(41-2)19-44-28(40)32-8-5-22(35)29-9-10-30-24(37)7-13-42-15-16-43-14-11-31-23(36)6-12-33-25(38)17-21(46-3)27(33)39;1-3-8(6-13)19-10(17-2)7-18-11(16)12-5-4-9(14)15;1-3-6(4-8)11-7(5-9)10-2/h20-22,24-25,34-41,43-44,48-53,57,67,71H,18-19,23,26-33H2,1-17H3,(H,60,75)(H,61,69)(H,62,68)(H,63,72);20-22,27,37H,3-19,31H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)(H,35,45)(H,43,44);20-21,26,34H,4-19H2,1-3H3,(H,29,35)(H,30,37)(H,31,36)(H,32,40);8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15);6-9H,3-5H2,1-2H3/t38-,39+,40+,41+,43?,44-,48?,49-,50-,51-,52-,53+,57?;;;;/m0..../s1.

What are the key properties of 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate?

2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate has a molecular weight of 3024.61 g/mol, XLogP of 1.42, 105 rotatable bonds, 23 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[1-[3-[2-[2-[3-[2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid;3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]carbamate;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;[1-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(2R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-4-oxobutan-2-yl]pyrrolidin-1-yl]-3,5-dimethyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxy-2-methylpropyl] (2S)-2-[3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoylamino]-3-methylbutanoate is sourced from PubChem (CID 159618285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).