1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide

C124H162F2N16O18 — CID 123615804

IUPAC1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N1CCc2ccccc2C1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCOc5cc(F)ccc54)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N[C@@H]1CCOc2cc(F)ccc21)C1CCCCC1
InChIInChI=1S/C62H80F2N8O10.C62H82N8O8/c1-5-35(2)56(74)70-55(38-14-10-7-11-15-38)62(80)72-34-44(31-51(72)60(78)69-49-25-27-82-54-29-42(64)21-23-46(49)54)67-58(76)40-18-16-39(17-19-40)57(75)66-43-30-50(59(77)68-48-24-26-81-53-28-41(63)20-22-45(48)53)71(33-43)61(79)47(32-52(73)36(3)65-4)37-12-8-6-9-13-37;1-5-39(2)56(72)66-55(44-20-10-7-11-21-44)62(78)70-38-50(33-53(70)61(77)68-31-29-42-17-13-15-23-48(42)36-68)65-58(74)46-26-24-45(25-27-46)57(73)64-49-32-52(60(76)67-30-28-41-16-12-14-22-47(41)35-67)69(37-49)59(75)51(34-54(71)40(3)63-4)43-18-8-6-9-19-43/h16-23,28-29,35-38,43-44,47-51,55,65H,5-15,24-27,30-34H2,1-4H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,70,74);12-17,22-27,39-40,43-44,49-53,55,63H,5-11,18-21,28-38H2,1-4H3,(H,64,73)(H,65,74)(H,66,72)/t35-,36+,43+,44+,47+,48-,49-,50+,51+,55+;39-,40+,49+,50+,51+,52+,53+,55+/m11/s1
InChIKeyBPDOBBYTBQXGTO-UIDXJPSASA-N
MW2202.75 g/mol
LogP12.65
Rot. Bonds36

About 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide

1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide (PubChem CID 123615804) has the molecular formula C124H162F2N16O18 and a molecular weight of 2202.75 g/mol. Its IUPAC name is 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
PubChem CID123615804
Molecular FormulaC124H162F2N16O18
Molecular Weight2202.75 g/mol
Exact Mass2201.22
IUPAC Name1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N1CCc2ccccc2C1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCOc5cc(F)ccc54)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N[C@@H]1CCOc2cc(F)ccc21)C1CCCCC1
InChIInChI=1S/C62H80F2N8O10.C62H82N8O8/c1-5-35(2)56(74)70-55(38-14-10-7-11-15-38)62(80)72-34-44(31-51(72)60(78)69-49-25-27-82-54-29-42(64)21-23-46(49)54)67-58(76)40-18-16-39(17-19-40)57(75)66-43-30-50(59(77)68-48-24-26-81-53-28-41(63)20-22-45(48)53)71(33-43)61(79)47(32-52(73)36(3)65-4)37-12-8-6-9-13-37;1-5-39(2)56(72)66-55(44-20-10-7-11-21-44)62(78)70-38-50(33-53(70)61(77)68-31-29-42-17-13-15-23-48(42)36-68)65-58(74)46-26-24-45(25-27-46)57(73)64-49-32-52(60(76)67-30-28-41-16-12-14-22-47(41)35-67)69(37-49)59(75)51(34-54(71)40(3)63-4)43-18-8-6-9-19-43/h16-23,28-29,35-38,43-44,47-51,55,65H,5-15,24-27,30-34H2,1-4H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,70,74);12-17,22-27,39-40,43-44,49-53,55,63H,5-11,18-21,28-38H2,1-4H3,(H,64,73)(H,65,74)(H,66,72)/t35-,36+,43+,44+,47+,48-,49-,50+,51+,55+;39-,40+,49+,50+,51+,52+,53+,55+/m11/s1
InChIKeyBPDOBBYTBQXGTO-UIDXJPSASA-N
XLogP12.65
TPSA431.32 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002202.75
LogP ≤ 512.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide (CID 123615804) is 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N1CCc2ccccc2C1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCOc5cc(F)ccc54)N(C(=O)[C@@H](CC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1C(=O)N[C@@H]1CCOc2cc(F)ccc21)C1CCCCC1.
What is the InChIKey of 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
The InChIKey is BPDOBBYTBQXGTO-UIDXJPSASA-N. The full InChI is InChI=1S/C62H80F2N8O10.C62H82N8O8/c1-5-35(2)56(74)70-55(38-14-10-7-11-15-38)62(80)72-34-44(31-51(72)60(78)69-49-25-27-82-54-29-42(64)21-23-46(49)54)67-58(76)40-18-16-39(17-19-40)57(75)66-43-30-50(59(77)68-48-24-26-81-53-28-41(63)20-22-45(48)53)71(33-43)61(79)47(32-52(73)36(3)65-4)37-12-8-6-9-13-37;1-5-39(2)56(72)66-55(44-20-10-7-11-21-44)62(78)70-38-50(33-53(70)61(77)68-31-29-42-17-13-15-23-48(42)36-68)65-58(74)46-26-24-45(25-27-46)57(73)64-49-32-52(60(76)67-30-28-41-16-12-14-22-47(41)35-67)69(37-49)59(75)51(34-54(71)40(3)63-4)43-18-8-6-9-19-43/h16-23,28-29,35-38,43-44,47-51,55,65H,5-15,24-27,30-34H2,1-4H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,70,74);12-17,22-27,39-40,43-44,49-53,55,63H,5-11,18-21,28-38H2,1-4H3,(H,64,73)(H,65,74)(H,66,72)/t35-,36+,43+,44+,47+,48-,49-,50+,51+,55+;39-,40+,49+,50+,51+,52+,53+,55+/m11/s1.
What are the key properties of 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide?
1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide has a molecular weight of 2202.75 g/mol, XLogP of 12.65, 36 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide;1-N-[(3S,5S)-1-[(2S,5S)-2-cyclohexyl-5-(methylamino)-4-oxohexanoyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-5-[[(4R)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 123615804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).