(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

C229H371N25O41S5 — CID 160849198

IUPAC(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
SMILESCCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)CNC(=O)OCCOCCN)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCOCCOCCN)cc2)C[C@H](C)C(=O)O)cs1
InChIInChI=1S/C48H78N6O9S.C48H79N5O10S.C46H75N5O8S.C46H75N5O7S.C41H64N4O7S/c1-9-20-54(47(59)38(33(6)11-3)28-42(56)40-14-12-13-21-53(40)8)41(32(4)5)29-44(62-22-10-2)46-52-39(31-64-46)45(58)51-36(27-35-15-17-37(55)18-16-35)26-34(7)43(57)30-50-48(60)63-25-24-61-23-19-49;1-9-21-63-44(30-42(33(4)5)53(32-59-11-3)47(56)39(34(6)10-2)29-43(54)41-14-12-13-20-52(41)8)46-51-40(31-64-46)45(55)50-37(27-35(7)48(57)58)28-36-15-17-38(18-16-36)62-26-25-61-24-23-60-22-19-49;1-9-23-59-42(28-40(31(4)5)51(30-57-11-3)45(54)37(32(6)10-2)27-41(52)39-16-12-14-22-50(39)8)44-49-38(29-60-44)43(53)48-35(25-33(7)46(55)56)26-34-17-19-36(20-18-34)58-24-15-13-21-47;1-9-22-51(45(54)37(32(6)11-3)28-41(52)39-16-12-14-23-50(39)8)40(31(4)5)29-42(58-24-10-2)44-49-38(30-59-44)43(53)48-35(26-33(7)46(55)56)27-34-17-19-36(20-18-34)57-25-15-13-21-47;1-8-20-52-37(39-44-34(25-53-39)38(47)43-31(21-29(7)41(49)50)22-30-16-12-11-13-17-30)24-35(27(4)5)45(26-51-10-3)40(48)32(28(6)9-2)23-36(46)33-18-14-15-19-42-33/h15-18,31-34,36,38,40-41,44,55H,9-14,19-30,49H2,1-8H3,(H,50,60)(H,51,58);15-18,31,33-35,37,39,41-42,44H,9-14,19-30,32,49H2,1-8H3,(H,50,55)(H,57,58);17-20,29,31-33,35,37,39-40,42H,9-16,21-28,30,47H2,1-8H3,(H,48,53)(H,55,56);17-20,30-33,35,37,39-40,42H,9-16,21-29,47H2,1-8H3,(H,48,53)(H,55,56);11-13,16-17,25,27-29,31-33,35,37,42H,8-10,14-15,18-24,26H2,1-7H3,(H,43,47)(H,49,50)/t33-,34-,36+,38-,40+,41+,44+;34-,35-,37+,39-,41+,42+,44+;2*32-,33-,35+,37-,39+,40+,42+;28-,29-,31+,32-,33+,35+,37+/m00000/s1
InChIKeySJAPJPGYIKIFBE-DDHWZTNGSA-N
MW4290.96 g/mol
LogP36.02
Rot. Bonds144

About (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid

(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid (PubChem CID 160849198) has the molecular formula C229H371N25O41S5 and a molecular weight of 4290.96 g/mol. Its IUPAC name is (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
PubChem CID160849198
Molecular FormulaC229H371N25O41S5
Molecular Weight4290.96 g/mol
Exact Mass4287.63
IUPAC Name(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
SMILESCCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)CNC(=O)OCCOCCN)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCOCCOCCN)cc2)C[C@H](C)C(=O)O)cs1
InChIInChI=1S/C48H78N6O9S.C48H79N5O10S.C46H75N5O8S.C46H75N5O7S.C41H64N4O7S/c1-9-20-54(47(59)38(33(6)11-3)28-42(56)40-14-12-13-21-53(40)8)41(32(4)5)29-44(62-22-10-2)46-52-39(31-64-46)45(58)51-36(27-35-15-17-37(55)18-16-35)26-34(7)43(57)30-50-48(60)63-25-24-61-23-19-49;1-9-21-63-44(30-42(33(4)5)53(32-59-11-3)47(56)39(34(6)10-2)29-43(54)41-14-12-13-20-52(41)8)46-51-40(31-64-46)45(55)50-37(27-35(7)48(57)58)28-36-15-17-38(18-16-36)62-26-25-61-24-23-60-22-19-49;1-9-23-59-42(28-40(31(4)5)51(30-57-11-3)45(54)37(32(6)10-2)27-41(52)39-16-12-14-22-50(39)8)44-49-38(29-60-44)43(53)48-35(25-33(7)46(55)56)26-34-17-19-36(20-18-34)58-24-15-13-21-47;1-9-22-51(45(54)37(32(6)11-3)28-41(52)39-16-12-14-23-50(39)8)40(31(4)5)29-42(58-24-10-2)44-49-38(30-59-44)43(53)48-35(26-33(7)46(55)56)27-34-17-19-36(20-18-34)57-25-15-13-21-47;1-8-20-52-37(39-44-34(25-53-39)38(47)43-31(21-29(7)41(49)50)22-30-16-12-11-13-17-30)24-35(27(4)5)45(26-51-10-3)40(48)32(28(6)9-2)23-36(46)33-18-14-15-19-42-33/h15-18,31-34,36,38,40-41,44,55H,9-14,19-30,49H2,1-8H3,(H,50,60)(H,51,58);15-18,31,33-35,37,39,41-42,44H,9-14,19-30,32,49H2,1-8H3,(H,50,55)(H,57,58);17-20,29,31-33,35,37,39-40,42H,9-16,21-28,30,47H2,1-8H3,(H,48,53)(H,55,56);17-20,30-33,35,37,39-40,42H,9-16,21-29,47H2,1-8H3,(H,48,53)(H,55,56);11-13,16-17,25,27-29,31-33,35,37,42H,8-10,14-15,18-24,26H2,1-7H3,(H,43,47)(H,49,50)/t33-,34-,36+,38-,40+,41+,44+;34-,35-,37+,39-,41+,42+,44+;2*32-,33-,35+,37-,39+,40+,42+;28-,29-,31+,32-,33+,35+,37+/m00000/s1
InChIKeySJAPJPGYIKIFBE-DDHWZTNGSA-N
XLogP36.02
TPSA879.97 Ų
H-Bond Donors16
H-Bond Acceptors56
Rotatable Bonds144
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004290.96
LogP ≤ 536.02
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1056

Analyze (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid with MolForge

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Related Compounds

(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 158630233
(2S,4R)-5-[4-(6-aminohexanoyloxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 158497310
(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid
CID 118283993
2-(2-aminoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;2-(2-azidoethoxy)ethyl N-[[(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoyl]amino]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl (2R)-2-[(3S,4S)-3-[[(1R,3R)-1-[4-[[(2R,4S)-1-(4-hydroxyphenyl)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-4-methyl-1-propoxypentan-3-yl]-propylcarbamoyl]-4-methylhexanoyl]piperidine-1-carboxylate;N-[(2R,4S)-1-(4-hydroxyphenyl)-4-(4H-triazol-5-yl)pentan-2-yl]-2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxamide;2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]-propylamino]-1-propoxypentyl]-N-[(2R,4S)-1-phenyl-4-(4H-triazol-5-yl)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 160868862
(2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 139356308
methyl (2S,4R)-4-[[2-[(1R,3R)-1-(methoxymethoxy)-4-methyl-3-[[(2S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]-propylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 157175376
(2R,6S)-2-[[2-[[(3S,5R)-5-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3R)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-6-(4-hydroxyphenyl)-3-methyl-2-oxohexyl]carbamoyloxy]ethyldisulfanyl]methyl]-6-ethyl-4-oxoheptanedioic acid
CID 158692881
benzyl (2S)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoate
CID 146513074
(2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-1-(methylcarbamoyloxy)-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methylphenyl)pentanoic acid
CID 159501298
(2S,4R)-2-methyl-5-[4-[2-(methylamino)ethoxy]phenyl]-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 118283820
ethyl (2S,4R)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-4-[(2R)-1-methylpiperidin-2-yl]-4-oxo-2-propan-2-ylbutanoyl]amino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate
CID 158585217
4-[[2-[1-acetyloxy-3-[benzyl-[3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-methoxyphenyl)-2-methylpentanoic acid
CID 58391113

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid?
The IUPAC name of (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid (CID 160849198) is (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid.
What is the SMILES notation for (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid?
The canonical SMILES for (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid is CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)CNC(=O)OCCOCCN)cs1.CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCCCN)cc2)C[C@H](C)C(=O)O)cs1.CCCO[C@H](C[C@H](C(C)C)N(COCC)C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(C(=O)N[C@@H](Cc2ccc(OCCOCCOCCN)cc2)C[C@H](C)C(=O)O)cs1.
What is the InChIKey of (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid?
The InChIKey is SJAPJPGYIKIFBE-DDHWZTNGSA-N. The full InChI is InChI=1S/C48H78N6O9S.C48H79N5O10S.C46H75N5O8S.C46H75N5O7S.C41H64N4O7S/c1-9-20-54(47(59)38(33(6)11-3)28-42(56)40-14-12-13-21-53(40)8)41(32(4)5)29-44(62-22-10-2)46-52-39(31-64-46)45(58)51-36(27-35-15-17-37(55)18-16-35)26-34(7)43(57)30-50-48(60)63-25-24-61-23-19-49;1-9-21-63-44(30-42(33(4)5)53(32-59-11-3)47(56)39(34(6)10-2)29-43(54)41-14-12-13-20-52(41)8)46-51-40(31-64-46)45(55)50-37(27-35(7)48(57)58)28-36-15-17-38(18-16-36)62-26-25-61-24-23-60-22-19-49;1-9-23-59-42(28-40(31(4)5)51(30-57-11-3)45(54)37(32(6)10-2)27-41(52)39-16-12-14-22-50(39)8)44-49-38(29-60-44)43(53)48-35(25-33(7)46(55)56)26-34-17-19-36(20-18-34)58-24-15-13-21-47;1-9-22-51(45(54)37(32(6)11-3)28-41(52)39-16-12-14-23-50(39)8)40(31(4)5)29-42(58-24-10-2)44-49-38(30-59-44)43(53)48-35(26-33(7)46(55)56)27-34-17-19-36(20-18-34)57-25-15-13-21-47;1-8-20-52-37(39-44-34(25-53-39)38(47)43-31(21-29(7)41(49)50)22-30-16-12-11-13-17-30)24-35(27(4)5)45(26-51-10-3)40(48)32(28(6)9-2)23-36(46)33-18-14-15-19-42-33/h15-18,31-34,36,38,40-41,44,55H,9-14,19-30,49H2,1-8H3,(H,50,60)(H,51,58);15-18,31,33-35,37,39,41-42,44H,9-14,19-30,32,49H2,1-8H3,(H,50,55)(H,57,58);17-20,29,31-33,35,37,39-40,42H,9-16,21-28,30,47H2,1-8H3,(H,48,53)(H,55,56);17-20,30-33,35,37,39-40,42H,9-16,21-29,47H2,1-8H3,(H,48,53)(H,55,56);11-13,16-17,25,27-29,31-33,35,37,42H,8-10,14-15,18-24,26H2,1-7H3,(H,43,47)(H,49,50)/t33-,34-,36+,38-,40+,41+,44+;34-,35-,37+,39-,41+,42+,44+;2*32-,33-,35+,37-,39+,40+,42+;28-,29-,31+,32-,33+,35+,37+/m00000/s1.
What are the key properties of (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid?
(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid has a molecular weight of 4290.96 g/mol, XLogP of 36.02, 144 rotatable bonds, 16 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-[4-(4-aminobutoxy)phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;(2S,4R)-5-[4-(4-aminobutoxy)phenyl]-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid;(2S,4R)-5-[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpentanoic acid;2-(2-aminoethoxy)ethyl N-[(3S,5R)-6-(4-hydroxyphenyl)-3-methyl-5-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-oxohexyl]carbamate;(2S,4R)-4-[[2-[(1R,3R)-3-[ethoxymethyl-[(2S,3S)-3-methyl-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]pentanoyl]amino]-4-methyl-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid is sourced from PubChem (CID 160849198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).