(2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride

C142H227ClN12O39S2Si3 — CID 157056403

About (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride

(2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride (PubChem CID 157056403) has the molecular formula C142H227ClN12O39S2Si3 and a molecular weight of 2910.27 g/mol. Its IUPAC name is (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride
• PubChem CID: 157056403
• Molecular Formula: C142H227ClN12O39S2Si3
• Molecular Weight: 2910.27 g/mol
• Exact Mass: 2907.46
• IUPAC Name: (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride
• SMILES: CCCCCCCCS(=O)(=O)Cl.CCCOc1ccc2cc1-c1cc(ccc1OCCNC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C.CCCOc1ccc2cc1-c1cc(ccc1OCCNC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2NC.CO.C[C@@H](CO)C(=O)O.C[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O.C[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O.C[C@@H]1CC(=O)[C@@H](N(C)C(=O)[C@H](CO)CS(C)(=O)=O)c2ccc(OCCN)c(c2)-c2cc(ccc2OCCN)C[C@@H](C(=O)CCC#N)NC1=O
• InChI: InChI=1S/C42H64N4O10Si.C34H45N5O9S.C33H45N3O8.2C10H22O3Si.C8H17ClO2S.C4H8O3.CH4O/c1-13-19-53-35-17-15-28-24-30(35)29-22-27(14-16-34(29)54-20-18-44-40(51)56-41(3,4)5)23-32(39(50)52-10)45-37(48)26(2)21-33(47)36(28)46(9)38(49)31(43)25-55-57(11,12)42(6,7)8;1-21-15-29(42)32(39(2)34(44)24(19-40)20-49(3,45)46)23-7-9-31(48-14-12-37)26(18-23)25-16-22(6-8-30(25)47-13-11-36)17-27(38-33(21)43)28(41)5-4-10-35;1-8-14-42-28-12-10-22-19-24(28)23-17-21(9-11-27(23)43-15-13-35-32(40)44-33(3,4)5)18-25(31(39)41-7)36-30(38)20(2)16-26(37)29(22)34-6;2*1-8(9(11)12)7-13-14(5,6)10(2,3)4;1-2-3-4-5-6-7-8-12(9,10)11;1-3(2-5)4(6)7;1-2/h14-17,22,24,26,31-32,36H,13,18-21,23,25,43H2,1-12H3,(H,44,51)(H,45,48);6-9,16,18,21,24,27,32,40H,4-5,11-15,17,19-20,36-37H2,1-3H3,(H,38,43);9-12,17,19-20,25,29,34H,8,13-16,18H2,1-7H3,(H,35,40)(H,36,38);2*8H,7H2,1-6H3,(H,11,12);2-8H2,1H3;3,5H,2H2,1H3,(H,6,7);2H,1H3/t26-,31+,32+,36+;21-,24-,27+,32+;20-,25+,29+;2*8-;;3-;/m11100.0./s1
• InChIKey: AAUQTZIHLWQPKG-KPODLLEGSA-N
• XLogP: 18.19
• TPSA: 763.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 53
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2910.27
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride?

The IUPAC name of (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride (CID 157056403) is (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride.

What is the SMILES notation for (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride?

The canonical SMILES for (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride is CCCCCCCCS(=O)(=O)Cl.CCCOc1ccc2cc1-c1cc(ccc1OCCNC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2N(C)C(=O)[C@@H](N)CO[Si](C)(C)C(C)(C)C.CCCOc1ccc2cc1-c1cc(ccc1OCCNC(=O)OC(C)(C)C)C[C@@H](C(=O)OC)NC(=O)[C@H](C)CC(=O)[C@H]2NC.CO.C[C@@H](CO)C(=O)O.C[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O.C[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O.C[C@@H]1CC(=O)[C@@H](N(C)C(=O)[C@H](CO)CS(C)(=O)=O)c2ccc(OCCN)c(c2)-c2cc(ccc2OCCN)C[C@@H](C(=O)CCC#N)NC1=O.

What is the InChIKey of (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride?

The InChIKey is AAUQTZIHLWQPKG-KPODLLEGSA-N. The full InChI is InChI=1S/C42H64N4O10Si.C34H45N5O9S.C33H45N3O8.2C10H22O3Si.C8H17ClO2S.C4H8O3.CH4O/c1-13-19-53-35-17-15-28-24-30(35)29-22-27(14-16-34(29)54-20-18-44-40(51)56-41(3,4)5)23-32(39(50)52-10)45-37(48)26(2)21-33(47)36(28)46(9)38(49)31(43)25-55-57(11,12)42(6,7)8;1-21-15-29(42)32(39(2)34(44)24(19-40)20-49(3,45)46)23-7-9-31(48-14-12-37)26(18-23)25-16-22(6-8-30(25)47-13-11-36)17-27(38-33(21)43)28(41)5-4-10-35;1-8-14-42-28-12-10-22-19-24(28)23-17-21(9-11-27(23)43-15-13-35-32(40)44-33(3,4)5)18-25(31(39)41-7)36-30(38)20(2)16-26(37)29(22)34-6;2*1-8(9(11)12)7-13-14(5,6)10(2,3)4;1-2-3-4-5-6-7-8-12(9,10)11;1-3(2-5)4(6)7;1-2/h14-17,22,24,26,31-32,36H,13,18-21,23,25,43H2,1-12H3,(H,44,51)(H,45,48);6-9,16,18,21,24,27,32,40H,4-5,11-15,17,19-20,36-37H2,1-3H3,(H,38,43);9-12,17,19-20,25,29,34H,8,13-16,18H2,1-7H3,(H,35,40)(H,36,38);2*8H,7H2,1-6H3,(H,11,12);2-8H2,1H3;3,5H,2H2,1H3,(H,6,7);2H,1H3/t26-,31+,32+,36+;21-,24-,27+,32+;20-,25+,29+;2*8-;;3-;/m11100.0./s1.

What are the key properties of (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride?

(2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride has a molecular weight of 2910.27 g/mol, XLogP of 18.19, 53 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-8-(3-cyanopropanoyl)-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-2-(hydroxymethyl)-N-methyl-3-methylsulfonylpropanamide;bis((2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid);(2S)-3-hydroxy-2-methylpropanoic acid;methanol;methyl (8S,11R,14S)-14-[[(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoyl]-methylamino]-11-methyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;methyl (8S,11R,14S)-11-methyl-14-(methylamino)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-10,13-dioxo-18-propoxy-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylate;octane-1-sulfonyl chloride is sourced from PubChem (CID 157056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).