[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

C246H278F7N33O33 — CID 159730389

IUPAC[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCC(=O)O[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](OC(C)=O)c3ccccc3)cc2)c2ccc(F)cc2)cc1)c1ccccc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC)NC(=O)OC)cc2)c2ccc(F)cc2)cc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1)C1CCOC1.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CC[C@@H](F)C3)cc2)c2ccc(F)cc2)cc1)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)N1CC[C@@H](F)C1
InChIInChI=1S/C54H58F3N7O4.C51H60FN7O7.C50H50FN5O8.C49H58FN7O6.C42H52FN7O8/c55-41-19-25-46(26-20-41)62(33-37-15-21-44(22-16-37)58-51(65)47-13-7-29-63(47)53(67)49(39-9-3-1-4-10-39)60-31-27-42(56)35-60)34-38-17-23-45(24-18-38)59-52(66)48-14-8-30-64(48)54(68)50(40-11-5-2-6-12-40)61-32-28-43(57)36-61;1-65-51(64)55-45(38-26-31-66-34-38)49(62)58-29-8-12-43(58)47(60)53-40-20-14-35(15-21-40)32-57(42-24-18-39(52)19-25-42)33-36-16-22-41(23-17-36)54-48(61)44-13-9-30-59(44)50(63)46(37-10-4-2-5-11-37)56-27-6-3-7-28-56;1-33(57)63-45(37-11-5-3-6-12-37)49(61)55-29-9-15-43(55)47(59)52-40-23-17-35(18-24-40)31-54(42-27-21-39(51)22-28-42)32-36-19-25-41(26-20-36)53-48(60)44-16-10-30-56(44)50(62)46(64-34(2)58)38-13-7-4-8-14-38;1-3-41(53-49(62)63-2)47(60)56-30-10-14-42(56)45(58)51-38-22-16-34(17-23-38)32-55(40-26-20-37(50)21-27-40)33-35-18-24-39(25-19-35)52-46(59)43-15-11-31-57(43)48(61)44(36-12-6-4-7-13-36)54-28-8-5-9-29-54;1-5-33(46-41(55)57-3)39(53)49-23-7-9-35(49)37(51)44-30-17-11-27(12-18-30)25-48(32-21-15-29(43)16-22-32)26-28-13-19-31(20-14-28)45-38(52)36-10-8-24-50(36)40(54)34(6-2)47-42(56)58-4/h1-6,9-12,15-26,42-43,47-50H,7-8,13-14,27-36H2,(H,58,65)(H,59,66);2,4-5,10-11,14-25,38,43-46H,3,6-9,12-13,26-34H2,1H3,(H,53,60)(H,54,61)(H,55,64);3-8,11-14,17-28,43-46H,9-10,15-16,29-32H2,1-2H3,(H,52,59)(H,53,60);4,6-7,12-13,16-27,41-44H,3,5,8-11,14-15,28-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,62);11-22,33-36H,5-10,23-26H2,1-4H3,(H,44,51)(H,45,52)(H,46,55)(H,47,56)/t42-,43-,47+,48+,49-,50-;38?,43-,44-,45-,46+;43-,44-,45+,46+;41-,42-,43-,44+;33-,34-,35-,36-/m10000/s1
InChIKeyNBDXNODISYDMAE-PEFZOAQFSA-N
MW4358.11 g/mol
LogP35.26
Rot. Bonds75

About [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate

[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (PubChem CID 159730389) has the molecular formula C246H278F7N33O33 and a molecular weight of 4358.11 g/mol. Its IUPAC name is [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
PubChem CID159730389
Molecular FormulaC246H278F7N33O33
Molecular Weight4358.11 g/mol
Exact Mass4355.10
IUPAC Name[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
SMILESCC(=O)O[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](OC(C)=O)c3ccccc3)cc2)c2ccc(F)cc2)cc1)c1ccccc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC)NC(=O)OC)cc2)c2ccc(F)cc2)cc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1)C1CCOC1.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CC[C@@H](F)C3)cc2)c2ccc(F)cc2)cc1)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)N1CC[C@@H](F)C1
InChIInChI=1S/C54H58F3N7O4.C51H60FN7O7.C50H50FN5O8.C49H58FN7O6.C42H52FN7O8/c55-41-19-25-46(26-20-41)62(33-37-15-21-44(22-16-37)58-51(65)47-13-7-29-63(47)53(67)49(39-9-3-1-4-10-39)60-31-27-42(56)35-60)34-38-17-23-45(24-18-38)59-52(66)48-14-8-30-64(48)54(68)50(40-11-5-2-6-12-40)61-32-28-43(57)36-61;1-65-51(64)55-45(38-26-31-66-34-38)49(62)58-29-8-12-43(58)47(60)53-40-20-14-35(15-21-40)32-57(42-24-18-39(52)19-25-42)33-36-16-22-41(23-17-36)54-48(61)44-13-9-30-59(44)50(63)46(37-10-4-2-5-11-37)56-27-6-3-7-28-56;1-33(57)63-45(37-11-5-3-6-12-37)49(61)55-29-9-15-43(55)47(59)52-40-23-17-35(18-24-40)31-54(42-27-21-39(51)22-28-42)32-36-19-25-41(26-20-36)53-48(60)44-16-10-30-56(44)50(62)46(64-34(2)58)38-13-7-4-8-14-38;1-3-41(53-49(62)63-2)47(60)56-30-10-14-42(56)45(58)51-38-22-16-34(17-23-38)32-55(40-26-20-37(50)21-27-40)33-35-18-24-39(25-19-35)52-46(59)43-15-11-31-57(43)48(61)44(36-12-6-4-7-13-36)54-28-8-5-9-29-54;1-5-33(46-41(55)57-3)39(53)49-23-7-9-35(49)37(51)44-30-17-11-27(12-18-30)25-48(32-21-15-29(43)16-22-32)26-28-13-19-31(20-14-28)45-38(52)36-10-8-24-50(36)40(54)34(6-2)47-42(56)58-4/h1-6,9-12,15-26,42-43,47-50H,7-8,13-14,27-36H2,(H,58,65)(H,59,66);2,4-5,10-11,14-25,38,43-46H,3,6-9,12-13,26-34H2,1H3,(H,53,60)(H,54,61)(H,55,64);3-8,11-14,17-28,43-46H,9-10,15-16,29-32H2,1-2H3,(H,52,59)(H,53,60);4,6-7,12-13,16-27,41-44H,3,5,8-11,14-15,28-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,62);11-22,33-36H,5-10,23-26H2,1-4H3,(H,44,51)(H,45,52)(H,46,55)(H,47,56)/t42-,43-,47+,48+,49-,50-;38?,43-,44-,45-,46+;43-,44-,45+,46+;41-,42-,43-,44+;33-,34-,35-,36-/m10000/s1
InChIKeyNBDXNODISYDMAE-PEFZOAQFSA-N
XLogP35.26
TPSA738.41 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds75
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004358.11
LogP ≤ 535.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate with MolForge

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Related Compounds

[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 59540343
(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-pyrrolidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-phenyl-2-pyrrolidin-1-ylacetyl]pyrrolidine-2-carboxamide
CID 59540099
methyl N-[(2S)-1-[2-[[4-[[N-[[4-[[1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 70843764
methyl N-[1-[2-[[4-[[N-[[4-[[1-(3-ethenyl-2-piperidin-1-ylpent-3-enoyl)pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90783114
methyl N-[(2S)-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59540352
methyl N-[1-cyclohexyl-2-[2-[[4-[[4-fluoro-N-[[4-[[1-[2-(methoxycarbonylamino)-3-propylhexanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 90937337
1-[(2R)-2-(ethylamino)-2-phenylacetyl]-N-[4-[[N-[[4-[[1-[(2R)-2-(ethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 161436502
1-[(2R)-2-(diethylamino)-2-phenylacetyl]-N-[4-[[N-[[4-[[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 91547840
methyl N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-[[(2R)-oxolane-2-carbonyl]amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 59540355
tert-butyl N-[(2S,3S)-3-methyl-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate;(2S)-1-[(2S)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoyl]-N-[4-[[N-[[4-[[(2S)-1-[(2S)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-[(3R)-oxolan-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-[(3R)-oxolan-3-yl]ethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)pent-4-enoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxopent-4-en-2-yl]carbamate;(2S)-1-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]-N-[4-[[N-[[4-[[(2S)-1-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 157119773
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[[N-[[4-[[(1R)-2-[(2R)-2-(dimethylamino)-2-phenylacetyl]cyclopentanecarbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 59540313
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[[N-[[4-[[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 46927909

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The IUPAC name of [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate (CID 159730389) is [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate.
What is the SMILES notation for [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The canonical SMILES for [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is CC(=O)O[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](OC(C)=O)c3ccccc3)cc2)c2ccc(F)cc2)cc1)c1ccccc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1.CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC)NC(=O)OC)cc2)c2ccc(F)cc2)cc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CCCCC3)cc2)c2ccc(F)cc2)cc1)C1CCOC1.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N3CC[C@@H](F)C3)cc2)c2ccc(F)cc2)cc1)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)N1CC[C@@H](F)C1.
What is the InChIKey of [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
The InChIKey is NBDXNODISYDMAE-PEFZOAQFSA-N. The full InChI is InChI=1S/C54H58F3N7O4.C51H60FN7O7.C50H50FN5O8.C49H58FN7O6.C42H52FN7O8/c55-41-19-25-46(26-20-41)62(33-37-15-21-44(22-16-37)58-51(65)47-13-7-29-63(47)53(67)49(39-9-3-1-4-10-39)60-31-27-42(56)35-60)34-38-17-23-45(24-18-38)59-52(66)48-14-8-30-64(48)54(68)50(40-11-5-2-6-12-40)61-32-28-43(57)36-61;1-65-51(64)55-45(38-26-31-66-34-38)49(62)58-29-8-12-43(58)47(60)53-40-20-14-35(15-21-40)32-57(42-24-18-39(52)19-25-42)33-36-16-22-41(23-17-36)54-48(61)44-13-9-30-59(44)50(63)46(37-10-4-2-5-11-37)56-27-6-3-7-28-56;1-33(57)63-45(37-11-5-3-6-12-37)49(61)55-29-9-15-43(55)47(59)52-40-23-17-35(18-24-40)31-54(42-27-21-39(51)22-28-42)32-36-19-25-41(26-20-36)53-48(60)44-16-10-30-56(44)50(62)46(64-34(2)58)38-13-7-4-8-14-38;1-3-41(53-49(62)63-2)47(60)56-30-10-14-42(56)45(58)51-38-22-16-34(17-23-38)32-55(40-26-20-37(50)21-27-40)33-35-18-24-39(25-19-35)52-46(59)43-15-11-31-57(43)48(61)44(36-12-6-4-7-13-36)54-28-8-5-9-29-54;1-5-33(46-41(55)57-3)39(53)49-23-7-9-35(49)37(51)44-30-17-11-27(12-18-30)25-48(32-21-15-29(43)16-22-32)26-28-13-19-31(20-14-28)45-38(52)36-10-8-24-50(36)40(54)34(6-2)47-42(56)58-4/h1-6,9-12,15-26,42-43,47-50H,7-8,13-14,27-36H2,(H,58,65)(H,59,66);2,4-5,10-11,14-25,38,43-46H,3,6-9,12-13,26-34H2,1H3,(H,53,60)(H,54,61)(H,55,64);3-8,11-14,17-28,43-46H,9-10,15-16,29-32H2,1-2H3,(H,52,59)(H,53,60);4,6-7,12-13,16-27,41-44H,3,5,8-11,14-15,28-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,62);11-22,33-36H,5-10,23-26H2,1-4H3,(H,44,51)(H,45,52)(H,46,55)(H,47,56)/t42-,43-,47+,48+,49-,50-;38?,43-,44-,45-,46+;43-,44-,45+,46+;41-,42-,43-,44+;33-,34-,35-,36-/m10000/s1.
What are the key properties of [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate?
[(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate has a molecular weight of 4358.11 g/mol, XLogP of 35.26, 75 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(2S)-2-[[4-[[N-[[4-[[(2S)-1-[(2R)-2-acetyloxy-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]-4-fluoroanilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] acetate;(2S)-N-[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]-1-[(2R)-2-[(3R)-3-fluoropyrrolidin-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxamide;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(1S)-2-[(2S)-2-[[4-[[4-fluoro-N-[[4-[[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]methyl]anilino]methyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate is sourced from PubChem (CID 159730389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).