2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

C187H272N26O40 — CID 158045566

IUPAC2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C2(C)C)C1CC1C)c1ccccc1.CCCC(NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@H]2[C@H](C)[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1
InChIInChI=1S/C39H55N5O8.C39H57N5O8.C37H53N5O8.C36H54N6O8.C36H53N5O8/c1-21(2)20-52-38(51)43-31(25-15-11-8-12-16-25)37(50)44-19-27-29(39(27,5)6)33(44)35(48)42-32(26-17-22(26)3)34(47)36(49)40-18-28(46)41-30(23(4)45)24-13-9-7-10-14-24;1-5-14-29(34(47)36(49)40-22-31(46)42-32(26(4)45)27-15-8-6-9-16-27)41-35(48)30-21-39(19-12-13-20-39)24-44(30)37(50)33(28-17-10-7-11-18-28)43-38(51)52-23-25(2)3;1-6-13-27(33(45)35(47)38-18-28(44)40-30(23(5)43)24-14-9-7-10-15-24)39-34(46)32-29-22(4)26(29)19-42(32)36(48)31(25-16-11-8-12-17-25)41-37(49)50-20-21(2)3;1-6-13-25(30(44)33(47)38-19-27(43)40-28(31(37)45)23-14-9-7-10-15-23)39-32(46)26-18-36(4,5)21-42(26)34(48)29(24-16-11-8-12-17-24)41-35(49)50-20-22(2)3;1-6-13-27(32(44)34(46)37-20-28(43)39-29(24(5)42)25-14-9-7-10-15-25)38-33(45)31-23(4)18-19-41(31)35(47)30(26-16-11-8-12-17-26)40-36(48)49-21-22(2)3/h7,9-10,13-14,21-22,25-27,29-33H,8,11-12,15-20H2,1-6H3,(H,40,49)(H,41,46)(H,42,48)(H,43,51);6,8-9,15-16,25,28-30,32-33H,5,7,10-14,17-24H2,1-4H3,(H,40,49)(H,41,48)(H,42,46)(H,43,51);7,9-10,14-15,21-22,25-27,29-32H,6,8,11-13,16-20H2,1-5H3,(H,38,47)(H,39,46)(H,40,44)(H,41,49);7,9-10,14-15,22,24-26,28-29H,6,8,11-13,16-21H2,1-5H3,(H2,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,49);7,9-10,14-15,22-23,26-27,29-31H,6,8,11-13,16-21H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,48)/t22?,26?,27-,29-,30+,31-,32?,33-;29?,30-,32+,33-;22-,26-,27?,29+,30-,31+,32+;25?,26-,28-,29-;23-,27?,29+,30-,31-/m00100/s1
InChIKeyFIWCZVWGYMWNTM-OKNOMCTQSA-N
MW3524.37 g/mol
LogP15.02
Rot. Bonds79

About 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 158045566) has the molecular formula C187H272N26O40 and a molecular weight of 3524.37 g/mol. Its IUPAC name is 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID158045566
Molecular FormulaC187H272N26O40
Molecular Weight3524.37 g/mol
Exact Mass3522.00
IUPAC Name2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C2(C)C)C1CC1C)c1ccccc1.CCCC(NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@H]2[C@H](C)[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1
InChIInChI=1S/C39H55N5O8.C39H57N5O8.C37H53N5O8.C36H54N6O8.C36H53N5O8/c1-21(2)20-52-38(51)43-31(25-15-11-8-12-16-25)37(50)44-19-27-29(39(27,5)6)33(44)35(48)42-32(26-17-22(26)3)34(47)36(49)40-18-28(46)41-30(23(4)45)24-13-9-7-10-14-24;1-5-14-29(34(47)36(49)40-22-31(46)42-32(26(4)45)27-15-8-6-9-16-27)41-35(48)30-21-39(19-12-13-20-39)24-44(30)37(50)33(28-17-10-7-11-18-28)43-38(51)52-23-25(2)3;1-6-13-27(33(45)35(47)38-18-28(44)40-30(23(5)43)24-14-9-7-10-15-24)39-34(46)32-29-22(4)26(29)19-42(32)36(48)31(25-16-11-8-12-17-25)41-37(49)50-20-21(2)3;1-6-13-25(30(44)33(47)38-19-27(43)40-28(31(37)45)23-14-9-7-10-15-23)39-32(46)26-18-36(4,5)21-42(26)34(48)29(24-16-11-8-12-17-24)41-35(49)50-20-22(2)3;1-6-13-27(32(44)34(46)37-20-28(43)39-29(24(5)42)25-14-9-7-10-15-25)38-33(45)31-23(4)18-19-41(31)35(47)30(26-16-11-8-12-17-26)40-36(48)49-21-22(2)3/h7,9-10,13-14,21-22,25-27,29-33H,8,11-12,15-20H2,1-6H3,(H,40,49)(H,41,46)(H,42,48)(H,43,51);6,8-9,15-16,25,28-30,32-33H,5,7,10-14,17-24H2,1-4H3,(H,40,49)(H,41,48)(H,42,46)(H,43,51);7,9-10,14-15,21-22,25-27,29-32H,6,8,11-13,16-20H2,1-5H3,(H,38,47)(H,39,46)(H,40,44)(H,41,49);7,9-10,14-15,22,24-26,28-29H,6,8,11-13,16-21H2,1-5H3,(H2,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,49);7,9-10,14-15,22-23,26-27,29-31H,6,8,11-13,16-21H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,48)/t22?,26?,27-,29-,30+,31-,32?,33-;29?,30-,32+,33-;22-,26-,27?,29+,30-,31+,32+;25?,26-,28-,29-;23-,27?,29+,30-,31-/m00100/s1
InChIKeyFIWCZVWGYMWNTM-OKNOMCTQSA-N
XLogP15.02
TPSA926.42 Ų
H-Bond Donors21
H-Bond Acceptors40
Rotatable Bonds79
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.37
LogP ≤ 515.02
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1040

Analyze 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

2-methylpropyl N-[1-cyclohexyl-2-[3-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate
CID 21016748
2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,5S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 59115547
methyl 2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;methyl 2-[[2-[[3-[[(2S)-1-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-4,4-dimethylpyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-methyl-4-propylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 159096376
(2S)-2-[[2-[[3-[[2-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid
CID 59115769
methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 58605931
2-methylpropyl N-[(1S)-2-[(8S)-8-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 58605236
2-methylpropyl N-[1-cyclohexyl-2-[2-[[1,2-dioxo-1-[[2-oxo-2-[(2-oxo-1-phenylpropyl)amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
CID 21016746
2-[[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid;methyl (2S)-2-[[2-[[3-[[(3S)-2-[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-2-azaspiro[4.4]nonane-3-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 158278406
2-[[2-[[3-[[1-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-4,4-difluoropyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid
CID 21016158
2-methylpropyl N-[2-[(2S,4R)-2-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 58605679
2-[[2-[[3-[[1-[2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]-4,4-dimethylpyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]-3-oxobutanoyl]amino]-2-phenylacetic acid
CID 21016161
2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(8S)-8-[[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-1,4-dithia-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]carbamate
CID 11535122

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 158045566) is 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate is CC(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C2(C)C)C1CC1C)c1ccccc1.CCCC(NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@@H](C)CCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.CCCC(NC(=O)[C@@H]1[C@H]2[C@H](C)[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.
What is the InChIKey of 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FIWCZVWGYMWNTM-OKNOMCTQSA-N. The full InChI is InChI=1S/C39H55N5O8.C39H57N5O8.C37H53N5O8.C36H54N6O8.C36H53N5O8/c1-21(2)20-52-38(51)43-31(25-15-11-8-12-16-25)37(50)44-19-27-29(39(27,5)6)33(44)35(48)42-32(26-17-22(26)3)34(47)36(49)40-18-28(46)41-30(23(4)45)24-13-9-7-10-14-24;1-5-14-29(34(47)36(49)40-22-31(46)42-32(26(4)45)27-15-8-6-9-16-27)41-35(48)30-21-39(19-12-13-20-39)24-44(30)37(50)33(28-17-10-7-11-18-28)43-38(51)52-23-25(2)3;1-6-13-27(33(45)35(47)38-18-28(44)40-30(23(5)43)24-14-9-7-10-15-24)39-34(46)32-29-22(4)26(29)19-42(32)36(48)31(25-16-11-8-12-17-25)41-37(49)50-20-21(2)3;1-6-13-25(30(44)33(47)38-19-27(43)40-28(31(37)45)23-14-9-7-10-15-23)39-32(46)26-18-36(4,5)21-42(26)34(48)29(24-16-11-8-12-17-24)41-35(49)50-20-22(2)3;1-6-13-27(32(44)34(46)37-20-28(43)39-29(24(5)42)25-14-9-7-10-15-25)38-33(45)31-23(4)18-19-41(31)35(47)30(26-16-11-8-12-17-26)40-36(48)49-21-22(2)3/h7,9-10,13-14,21-22,25-27,29-33H,8,11-12,15-20H2,1-6H3,(H,40,49)(H,41,46)(H,42,48)(H,43,51);6,8-9,15-16,25,28-30,32-33H,5,7,10-14,17-24H2,1-4H3,(H,40,49)(H,41,48)(H,42,46)(H,43,51);7,9-10,14-15,21-22,25-27,29-32H,6,8,11-13,16-20H2,1-5H3,(H,38,47)(H,39,46)(H,40,44)(H,41,49);7,9-10,14-15,22,24-26,28-29H,6,8,11-13,16-21H2,1-5H3,(H2,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,49);7,9-10,14-15,22-23,26-27,29-31H,6,8,11-13,16-21H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,48)/t22?,26?,27-,29-,30+,31-,32?,33-;29?,30-,32+,33-;22-,26-,27?,29+,30-,31+,32+;25?,26-,28-,29-;23-,27?,29+,30-,31-/m00100/s1.
What are the key properties of 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?
2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 3524.37 g/mol, XLogP of 15.02, 79 rotatable bonds, 21 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(1S)-2-[(2S)-2-[[1-[[2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4,4-dimethylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-[[1-(2-methylcyclopropyl)-2,3-dioxo-3-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(3S)-3-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(1S,2S,5R,6R)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S,3S)-2-[[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]carbamoyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 158045566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).