4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane

C258H339Cl14N35O34S2 — CID 159619929

IUPAC4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane
SMILESC.C.C.C.CC(C)(C)OC(=O)N1CCNCC1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CS)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CSC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCNCC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC(C)(C)C)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC2C(=O)CCC2=O)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(N)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C59H69Cl2N7O6S.C40H55Cl2N7O6S.C34H45Cl2N5O5.C30H33Cl2N3O6.C29H37Cl2N5O3.C29H37Cl2N3O4.C24H29Cl2N3O2.C9H18N2O2.4CH4/c1-3-62-56(73)58(40-44-20-9-4-10-21-44)31-19-33-68(42-58)55(72)51(39-45-29-30-49(60)50(61)38-45)65-57(74)67-36-34-66(35-37-67)53(70)28-17-8-18-32-63-54(71)52(64-43(2)69)41-75-59(46-22-11-5-12-23-46,47-24-13-6-14-25-47)48-26-15-7-16-27-48;1-3-43-38(54)40(25-29-11-6-4-7-12-29)16-10-18-49(27-40)37(53)33(24-30-14-15-31(41)32(42)23-30)46-39(55)48-21-19-47(20-22-48)35(51)13-8-5-9-17-44-36(52)34(26-56)45-28(2)50;1-5-37-30(43)34(22-24-10-7-6-8-11-24)14-9-15-41(23-34)29(42)28(21-25-12-13-26(35)27(36)20-25)38-31(44)39-16-18-40(19-17-39)32(45)46-33(2,3)4;1-2-33-28(39)30(17-19-7-4-3-5-8-19)13-6-14-35(18-30)27(38)23(16-20-9-10-21(31)22(32)15-20)34-29(40)41-26-24(36)11-12-25(26)37;1-2-33-27(38)29(19-21-7-4-3-5-8-21)11-6-14-36(20-29)26(37)25(18-22-9-10-23(30)24(31)17-22)34-28(39)35-15-12-32-13-16-35;1-5-32-26(36)29(18-20-10-7-6-8-11-20)14-9-15-34(19-29)25(35)24(33-27(37)38-28(2,3)4)17-21-12-13-22(30)23(31)16-21;1-2-28-23(31)24(15-17-7-4-3-5-8-17)11-6-12-29(16-24)22(30)21(27)14-18-9-10-19(25)20(26)13-18;1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;;/h4-7,9-16,20-27,29-30,38,51-52H,3,8,17-19,28,31-37,39-42H2,1-2H3,(H,62,73)(H,63,71)(H,64,69)(H,65,74);4,6-7,11-12,14-15,23,33-34,56H,3,5,8-10,13,16-22,24-27H2,1-2H3,(H,43,54)(H,44,52)(H,45,50)(H,46,55);6-8,10-13,20,28H,5,9,14-19,21-23H2,1-4H3,(H,37,43)(H,38,44);3-5,7-10,15,23,26H,2,6,11-14,16-18H2,1H3,(H,33,39)(H,34,40);3-5,7-10,17,25,32H,2,6,11-16,18-20H2,1H3,(H,33,38)(H,34,39);6-8,10-13,16,24H,5,9,14-15,17-19H2,1-4H3,(H,32,36)(H,33,37);3-5,7-10,13,21H,2,6,11-12,14-16,27H2,1H3,(H,28,31);10H,4-7H2,1-3H3;4*1H4/t51?,52?,58-;33?,34?,40-;28?,34-;23?,30-;25?,29-;24?,29-;21?,24-;;;;;/m0000000...../s1
InChIKeyMNTNESZATBPRLP-NOGKDLSMSA-N
MW5035.24 g/mol
LogP37.73
Rot. Bonds79

About 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane

4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane (PubChem CID 159619929) has the molecular formula C258H339Cl14N35O34S2 and a molecular weight of 5035.24 g/mol. Its IUPAC name is 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane.

Molecular Properties

Compound Name4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane
PubChem CID159619929
Molecular FormulaC258H339Cl14N35O34S2
Molecular Weight5035.24 g/mol
Exact Mass5025.10
IUPAC Name4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane
SMILESC.C.C.C.CC(C)(C)OC(=O)N1CCNCC1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CS)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CSC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCNCC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC(C)(C)C)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC2C(=O)CCC2=O)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(N)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C59H69Cl2N7O6S.C40H55Cl2N7O6S.C34H45Cl2N5O5.C30H33Cl2N3O6.C29H37Cl2N5O3.C29H37Cl2N3O4.C24H29Cl2N3O2.C9H18N2O2.4CH4/c1-3-62-56(73)58(40-44-20-9-4-10-21-44)31-19-33-68(42-58)55(72)51(39-45-29-30-49(60)50(61)38-45)65-57(74)67-36-34-66(35-37-67)53(70)28-17-8-18-32-63-54(71)52(64-43(2)69)41-75-59(46-22-11-5-12-23-46,47-24-13-6-14-25-47)48-26-15-7-16-27-48;1-3-43-38(54)40(25-29-11-6-4-7-12-29)16-10-18-49(27-40)37(53)33(24-30-14-15-31(41)32(42)23-30)46-39(55)48-21-19-47(20-22-48)35(51)13-8-5-9-17-44-36(52)34(26-56)45-28(2)50;1-5-37-30(43)34(22-24-10-7-6-8-11-24)14-9-15-41(23-34)29(42)28(21-25-12-13-26(35)27(36)20-25)38-31(44)39-16-18-40(19-17-39)32(45)46-33(2,3)4;1-2-33-28(39)30(17-19-7-4-3-5-8-19)13-6-14-35(18-30)27(38)23(16-20-9-10-21(31)22(32)15-20)34-29(40)41-26-24(36)11-12-25(26)37;1-2-33-27(38)29(19-21-7-4-3-5-8-21)11-6-14-36(20-29)26(37)25(18-22-9-10-23(30)24(31)17-22)34-28(39)35-15-12-32-13-16-35;1-5-32-26(36)29(18-20-10-7-6-8-11-20)14-9-15-34(19-29)25(35)24(33-27(37)38-28(2,3)4)17-21-12-13-22(30)23(31)16-21;1-2-28-23(31)24(15-17-7-4-3-5-8-17)11-6-12-29(16-24)22(30)21(27)14-18-9-10-19(25)20(26)13-18;1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;;/h4-7,9-16,20-27,29-30,38,51-52H,3,8,17-19,28,31-37,39-42H2,1-2H3,(H,62,73)(H,63,71)(H,64,69)(H,65,74);4,6-7,11-12,14-15,23,33-34,56H,3,5,8-10,13,16-22,24-27H2,1-2H3,(H,43,54)(H,44,52)(H,45,50)(H,46,55);6-8,10-13,20,28H,5,9,14-19,21-23H2,1-4H3,(H,37,43)(H,38,44);3-5,7-10,15,23,26H,2,6,11-14,16-18H2,1H3,(H,33,39)(H,34,40);3-5,7-10,17,25,32H,2,6,11-16,18-20H2,1H3,(H,33,38)(H,34,39);6-8,10-13,16,24H,5,9,14-15,17-19H2,1-4H3,(H,32,36)(H,33,37);3-5,7-10,13,21H,2,6,11-12,14-16,27H2,1H3,(H,28,31);10H,4-7H2,1-3H3;4*1H4/t51?,52?,58-;33?,34?,40-;28?,34-;23?,30-;25?,29-;24?,29-;21?,24-;;;;;/m0000000...../s1
InChIKeyMNTNESZATBPRLP-NOGKDLSMSA-N
XLogP37.73
TPSA852.21 Ų
H-Bond Donors21
H-Bond Acceptors39
Rotatable Bonds79
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005035.24
LogP ≤ 537.73
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1039

Analyze 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane with MolForge

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Related Compounds

tert-butyl N-[6-[(3R)-3-[[(2S)-1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoylamino]piperidin-1-yl]-6-oxohexyl]carbamate
CID 58107755
tert-butyl N-[1-[[(2R)-1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]carbamate
CID 58107753
2-(2-aminoethyl)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;(3S)-1-[2-[[1-(6-aminohexanoyl)-4-methylpiperidine-4-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;(3S)-1-(2-amino-3-naphthalen-2-ylpropanoyl)-3-benzyl-N-ethylpiperidine-3-carboxamide;(3S)-3-benzyl-N-ethyl-1-[2-[(4-methylpiperidine-4-carbonyl)amino]-3-naphthalen-2-ylpropanoyl]piperidine-3-carboxamide;(3S)-3-benzyl-N-ethylpiperidine-3-carboxamide;(3S)-3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;tert-butyl (3S)-3-benzyl-3-(ethylcarbamoyl)piperidine-1-carboxylate;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-4-methylpiperidine-1-carboxylate;tert-butyl N-[6-[4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-4-methylpiperidin-1-yl]-6-oxohexyl]carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
CID 162189264
(3S)-1-[(2R)-2-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoylamino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide
CID 58107787
[6-[4-[[(2R)-1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]-6-oxohexyl]azanium;2,2,2-trifluoroacetate
CID 160744889
S-[2-[[6-[4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoylamino]butylamino]-6-oxohexyl]amino]-2-oxoethyl] ethanethioate
CID 89150623
N-[(2R)-1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-4-ium-1-carboxamide
CID 58107731
(3S)-1-[(2R)-2-[[3-(6-aminohexanoylamino)-1-methylsulfanylcyclopentanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide
CID 58107759
(3S)-3-benzyl-1-[(2S)-2-[[1-(3,3-dimethylbutanoyl)-4-methylpiperidine-4-carbonyl]amino]-3-naphthalen-2-ylpropanoyl]-N-ethylpiperidine-3-carboxamide
CID 70971922
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
(2S)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-tritylsulfanylpropanoic acid
CID 175713921
[4-[4-[[(2R)-1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-4-methylpiperidin-1-yl]-4-oxobutan-2-yl]azanium chloride
CID 159068491

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane?
The IUPAC name of 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane (CID 159619929) is 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane.
What is the SMILES notation for 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane?
The canonical SMILES for 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane is C.C.C.C.CC(C)(C)OC(=O)N1CCNCC1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CS)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)CCCCCNC(=O)C(CSC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(C)=O)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCNCC2)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC(C)(C)C)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)OC2C(=O)CCC2=O)C1.CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)C(N)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane?
The InChIKey is MNTNESZATBPRLP-NOGKDLSMSA-N. The full InChI is InChI=1S/C59H69Cl2N7O6S.C40H55Cl2N7O6S.C34H45Cl2N5O5.C30H33Cl2N3O6.C29H37Cl2N5O3.C29H37Cl2N3O4.C24H29Cl2N3O2.C9H18N2O2.4CH4/c1-3-62-56(73)58(40-44-20-9-4-10-21-44)31-19-33-68(42-58)55(72)51(39-45-29-30-49(60)50(61)38-45)65-57(74)67-36-34-66(35-37-67)53(70)28-17-8-18-32-63-54(71)52(64-43(2)69)41-75-59(46-22-11-5-12-23-46,47-24-13-6-14-25-47)48-26-15-7-16-27-48;1-3-43-38(54)40(25-29-11-6-4-7-12-29)16-10-18-49(27-40)37(53)33(24-30-14-15-31(41)32(42)23-30)46-39(55)48-21-19-47(20-22-48)35(51)13-8-5-9-17-44-36(52)34(26-56)45-28(2)50;1-5-37-30(43)34(22-24-10-7-6-8-11-24)14-9-15-41(23-34)29(42)28(21-25-12-13-26(35)27(36)20-25)38-31(44)39-16-18-40(19-17-39)32(45)46-33(2,3)4;1-2-33-28(39)30(17-19-7-4-3-5-8-19)13-6-14-35(18-30)27(38)23(16-20-9-10-21(31)22(32)15-20)34-29(40)41-26-24(36)11-12-25(26)37;1-2-33-27(38)29(19-21-7-4-3-5-8-21)11-6-14-36(20-29)26(37)25(18-22-9-10-23(30)24(31)17-22)34-28(39)35-15-12-32-13-16-35;1-5-32-26(36)29(18-20-10-7-6-8-11-20)14-9-15-34(19-29)25(35)24(33-27(37)38-28(2,3)4)17-21-12-13-22(30)23(31)16-21;1-2-28-23(31)24(15-17-7-4-3-5-8-17)11-6-12-29(16-24)22(30)21(27)14-18-9-10-19(25)20(26)13-18;1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;;/h4-7,9-16,20-27,29-30,38,51-52H,3,8,17-19,28,31-37,39-42H2,1-2H3,(H,62,73)(H,63,71)(H,64,69)(H,65,74);4,6-7,11-12,14-15,23,33-34,56H,3,5,8-10,13,16-22,24-27H2,1-2H3,(H,43,54)(H,44,52)(H,45,50)(H,46,55);6-8,10-13,20,28H,5,9,14-19,21-23H2,1-4H3,(H,37,43)(H,38,44);3-5,7-10,15,23,26H,2,6,11-14,16-18H2,1H3,(H,33,39)(H,34,40);3-5,7-10,17,25,32H,2,6,11-16,18-20H2,1H3,(H,33,38)(H,34,39);6-8,10-13,16,24H,5,9,14-15,17-19H2,1-4H3,(H,32,36)(H,33,37);3-5,7-10,13,21H,2,6,11-12,14-16,27H2,1H3,(H,28,31);10H,4-7H2,1-3H3;4*1H4/t51?,52?,58-;33?,34?,40-;28?,34-;23?,30-;25?,29-;24?,29-;21?,24-;;;;;/m0000000...../s1.
What are the key properties of 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane?
4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane has a molecular weight of 5035.24 g/mol, XLogP of 37.73, 79 rotatable bonds, 21 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-acetamido-3-sulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;4-[6-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]hexanoyl]-N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;(3S)-1-[2-amino-3-(3,4-dichlorophenyl)propanoyl]-3-benzyl-N-ethylpiperidine-3-carboxamide;N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperazine-1-carboxamide;tert-butyl N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2,5-dioxocyclopentyl) N-[1-[(3S)-3-benzyl-3-(ethylcarbamoyl)piperidin-1-yl]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamate;methane is sourced from PubChem (CID 159619929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).