dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate

C82H154Cl2FN7O22P2Si2 — CID 123508440

About dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate

dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate (PubChem CID 123508440) has the molecular formula C82H154Cl2FN7O22P2Si2 and a molecular weight of 1798.18 g/mol. Its IUPAC name is dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate.

Molecular Properties

• Compound Name: dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate
• PubChem CID: 123508440
• Molecular Formula: C82H154Cl2FN7O22P2Si2
• Molecular Weight: 1798.18 g/mol
• Exact Mass: 1795.95
• IUPAC Name: dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate
• SMILES: CC(C)C[C@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCOCC[Si](C)(C)C.CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCOCC[Si](C)(C)C.CC(C)[C@H](OC(=O)C[C@H](C)[C@H](C)C(C)C)C(=O)OP(F)P.ClCCl
• InChI: InChI=1S/C34H63N3O9Si.C33H62N4O9Si.C14H27FO4P2.CH2Cl2/c1-22(2)19-24(5)29(38)37-16-14-15-26(37)30(39)36(10)27(20-23(3)4)31(40)45-25(6)28(35-33(42)46-34(7,8)9)32(41)44-21-43-17-18-47(11,12)13;1-21(2)18-24(34)28(38)37-15-13-14-25(37)29(39)36(9)26(19-22(3)4)30(40)45-23(5)27(35-32(42)46-33(6,7)8)31(41)44-20-43-16-17-47(10,11)12;1-8(2)11(6)10(5)7-12(16)18-13(9(3)4)14(17)19-21(15)20;2-1-3/h22-28H,14-21H2,1-13H3,(H,35,42);21-27H,13-20,34H2,1-12H3,(H,35,42);8-11,13H,7,20H2,1-6H3;1H2/t24-,25+,26-,27-,28-;23-,24+,25+,26+,27+;10-,11+,13-,21?;/m010./s1
• InChIKey: SGMSHETYLVPHPX-GVFQSZTISA-N
• XLogP: 15.03
• TPSA: 360.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.18
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate?

The IUPAC name of dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate (CID 123508440) is dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate.

What is the SMILES notation for dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate?

The canonical SMILES for dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate is CC(C)C[C@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCOCC[Si](C)(C)C.CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCOCC[Si](C)(C)C.CC(C)[C@H](OC(=O)C[C@H](C)[C@H](C)C(C)C)C(=O)OP(F)P.ClCCl.

What is the InChIKey of dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate?

The InChIKey is SGMSHETYLVPHPX-GVFQSZTISA-N. The full InChI is InChI=1S/C34H63N3O9Si.C33H62N4O9Si.C14H27FO4P2.CH2Cl2/c1-22(2)19-24(5)29(38)37-16-14-15-26(37)30(39)36(10)27(20-23(3)4)31(40)45-25(6)28(35-33(42)46-34(7,8)9)32(41)44-21-43-17-18-47(11,12)13;1-21(2)18-24(34)28(38)37-15-13-14-25(37)29(39)36(9)26(19-22(3)4)30(40)45-23(5)27(35-32(42)46-33(6,7)8)31(41)44-20-43-16-17-47(10,11)12;1-8(2)11(6)10(5)7-12(16)18-13(9(3)4)14(17)19-21(15)20;2-1-3/h22-28H,14-21H2,1-13H3,(H,35,42);21-27H,13-20,34H2,1-12H3,(H,35,42);8-11,13H,7,20H2,1-6H3;1H2/t24-,25+,26-,27-,28-;23-,24+,25+,26+,27+;10-,11+,13-,21?;/m010./s1.

What are the key properties of dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate?

dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate has a molecular weight of 1798.18 g/mol, XLogP of 15.03, 42 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;[(2S)-1-[fluoro(phosphanyl)phosphanyl]oxy-3-methyl-1-oxobutan-2-yl] (3S,4R)-3,4,5-trimethylhexanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate;[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(2-trimethylsilylethoxymethoxy)butan-2-yl] (2S)-2-[[(2S)-1-[(2S)-2,4-dimethylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoate is sourced from PubChem (CID 123508440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).