[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane

C97H129F4N13O18 — CID 157164207

IUPAC[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane
SMILESCC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@@H](N)CC)[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@@H](N)CC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H])[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@H](CC)CC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C57H77F2N7O12.C38H46F2N6O6.C2H6/c1-15-34(21-48(69)30(3)63(13)54(73)77-56(7,8)9)52(71)65-28-39(75-32(5)67)24-37(65)26-43-41-19-17-35(58)22-46(41)60-49(43)50-44(42-20-18-36(59)23-47(42)61-50)27-38-25-40(76-33(6)68)29-66(38)53(72)45(16-2)62-51(70)31(4)64(14)55(74)78-57(10,11)12;1-5-31(41)37(49)45-17-25(51-19(3)47)13-23(45)15-29-27-9-7-21(39)11-33(27)43-35(29)36-30(28-10-8-22(40)12-34(28)44-36)16-24-14-26(52-20(4)48)18-46(24)38(50)32(42)6-2;1-2/h17-20,22-23,30-31,34,37-40,45,60-61H,15-16,21,24-29H2,1-14H3,(H,62,70);7-12,23-26,31-32,43-44H,5-6,13-18,41-42H2,1-4H3;1-2H3/t30-,31-,34+,37-,38-,39-,40-,45-;23-,24-,25-,26-,31-,32-;/m00./s1/i13D3,14D3,26D2,27D2;15D2,16D2;
InChIKeyAMSIVIHFECKBSM-HJNBIHCUSA-N
MW1855.25 g/mol
LogP13.38
Rot. Bonds31

About [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane

[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane (PubChem CID 157164207) has the molecular formula C97H129F4N13O18 and a molecular weight of 1855.25 g/mol. Its IUPAC name is [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane.

Molecular Properties

Compound Name[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane
PubChem CID157164207
Molecular FormulaC97H129F4N13O18
Molecular Weight1855.25 g/mol
Exact Mass1854.04
IUPAC Name[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane
SMILESCC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@@H](N)CC)[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@@H](N)CC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H])[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@H](CC)CC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C57H77F2N7O12.C38H46F2N6O6.C2H6/c1-15-34(21-48(69)30(3)63(13)54(73)77-56(7,8)9)52(71)65-28-39(75-32(5)67)24-37(65)26-43-41-19-17-35(58)22-46(41)60-49(43)50-44(42-20-18-36(59)23-47(42)61-50)27-38-25-40(76-33(6)68)29-66(38)53(72)45(16-2)62-51(70)31(4)64(14)55(74)78-57(10,11)12;1-5-31(41)37(49)45-17-25(51-19(3)47)13-23(45)15-29-27-9-7-21(39)11-33(27)43-35(29)36-30(28-10-8-22(40)12-34(28)44-36)16-24-14-26(52-20(4)48)18-46(24)38(50)32(42)6-2;1-2/h17-20,22-23,30-31,34,37-40,45,60-61H,15-16,21,24-29H2,1-14H3,(H,62,70);7-12,23-26,31-32,43-44H,5-6,13-18,41-42H2,1-4H3;1-2H3/t30-,31-,34+,37-,38-,39-,40-,45-;23-,24-,25-,26-,31-,32-;/m00./s1/i13D3,14D3,26D2,27D2;15D2,16D2;
InChIKeyAMSIVIHFECKBSM-HJNBIHCUSA-N
XLogP13.38
TPSA406.89 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001855.25
LogP ≤ 513.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane?
The IUPAC name of [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane (CID 157164207) is [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane.
What is the SMILES notation for [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane?
The canonical SMILES for [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane is CC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@@H](N)CC)[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@@H](N)CC.[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H])[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@H](CC)CC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H].
What is the InChIKey of [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane?
The InChIKey is AMSIVIHFECKBSM-HJNBIHCUSA-N. The full InChI is InChI=1S/C57H77F2N7O12.C38H46F2N6O6.C2H6/c1-15-34(21-48(69)30(3)63(13)54(73)77-56(7,8)9)52(71)65-28-39(75-32(5)67)24-37(65)26-43-41-19-17-35(58)22-46(41)60-49(43)50-44(42-20-18-36(59)23-47(42)61-50)27-38-25-40(76-33(6)68)29-66(38)53(72)45(16-2)62-51(70)31(4)64(14)55(74)78-57(10,11)12;1-5-31(41)37(49)45-17-25(51-19(3)47)13-23(45)15-29-27-9-7-21(39)11-33(27)43-35(29)36-30(28-10-8-22(40)12-34(28)44-36)16-24-14-26(52-20(4)48)18-46(24)38(50)32(42)6-2;1-2/h17-20,22-23,30-31,34,37-40,45,60-61H,15-16,21,24-29H2,1-14H3,(H,62,70);7-12,23-26,31-32,43-44H,5-6,13-18,41-42H2,1-4H3;1-2H3/t30-,31-,34+,37-,38-,39-,40-,45-;23-,24-,25-,26-,31-,32-;/m00./s1/i13D3,14D3,26D2,27D2;15D2,16D2;.
What are the key properties of [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane?
[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane has a molecular weight of 1855.25 g/mol, XLogP of 13.38, 31 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2S)-2-aminobutanoyl]pyrrolidin-3-yl] acetate;[(3S,5R)-5-[[2-[3-[[(2R,4S)-4-acetyloxy-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]-dideuteriomethyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]-dideuteriomethyl]-1-[(2R,5S)-2-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]-4-oxohexanoyl]pyrrolidin-3-yl] acetate;ethane is sourced from PubChem (CID 157164207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).