acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate

C177H230Cl2N32O50S12 — CID 158989186

IUPACacetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate
SMILESCC(=O)Cl.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)Cl)CC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C31H42N6O8S2.C31H41N5O9S2.C30H38ClN5O8S2.C29H39N5O7S2.C27H34N6O8S2.C27H33N5O9S2.C2H3ClO/c1-30(2,3)45-27(39)24(34-26(38)25-31(4,5)46-20-37(25)47(42,43)23-8-7-13-33-19-23)18-21-9-11-22(12-10-21)44-29(41)36-16-14-35(15-17-36)28(40)32-6;1-30(2,3)45-27(38)24(33-26(37)25-31(4,5)46-20-36(25)47(41,42)23-8-7-13-32-19-23)18-21-9-11-22(12-10-21)44-29(40)35-16-14-34(15-17-35)28(39)43-6;1-29(2,3)44-26(38)23(17-20-8-10-21(11-9-20)43-28(40)35-15-13-34(14-16-35)27(31)39)33-25(37)24-30(4,5)45-19-36(24)46(41,42)22-7-6-12-32-18-22;1-28(2,3)41-26(36)23(17-20-8-10-21(11-9-20)40-27(37)33-15-13-30-14-16-33)32-25(35)24-29(4,5)42-19-34(24)43(38,39)22-7-6-12-31-18-22;1-27(2)22(33(17-42-27)43(39,40)20-5-4-10-29-16-20)23(34)30-21(24(35)36)15-18-6-8-19(9-7-18)41-26(38)32-13-11-31(12-14-32)25(37)28-3;1-27(2)22(32(17-42-27)43(38,39)20-5-4-10-28-16-20)23(33)29-21(24(34)35)15-18-6-8-19(9-7-18)41-26(37)31-13-11-30(12-14-31)25(36)40-3;1-2(3)4/h7-13,19,24-25H,14-18,20H2,1-6H3,(H,32,40)(H,34,38);7-13,19,24-25H,14-18,20H2,1-6H3,(H,33,37);6-12,18,23-24H,13-17,19H2,1-5H3,(H,33,37);6-12,18,23-24,30H,13-17,19H2,1-5H3,(H,32,35);4-10,16,21-22H,11-15,17H2,1-3H3,(H,28,37)(H,30,34)(H,35,36);4-10,16,21-22H,11-15,17H2,1-3H3,(H,29,33)(H,34,35);1H3/t2*24-,25?;2*23-,24?;2*21-,22?;/m000000./s1
InChIKeyJPYLGYGHEVSZPF-LZLFLZABSA-N
MW4061.67 g/mol
LogP14.77
Rot. Bonds48

About acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate

acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate (PubChem CID 158989186) has the molecular formula C177H230Cl2N32O50S12 and a molecular weight of 4061.67 g/mol. Its IUPAC name is acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate.

Molecular Properties

Compound Nameacetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate
PubChem CID158989186
Molecular FormulaC177H230Cl2N32O50S12
Molecular Weight4061.67 g/mol
Exact Mass4057.25
IUPAC Nameacetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate
SMILESCC(=O)Cl.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)Cl)CC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C31H42N6O8S2.C31H41N5O9S2.C30H38ClN5O8S2.C29H39N5O7S2.C27H34N6O8S2.C27H33N5O9S2.C2H3ClO/c1-30(2,3)45-27(39)24(34-26(38)25-31(4,5)46-20-37(25)47(42,43)23-8-7-13-33-19-23)18-21-9-11-22(12-10-21)44-29(41)36-16-14-35(15-17-36)28(40)32-6;1-30(2,3)45-27(38)24(33-26(37)25-31(4,5)46-20-36(25)47(41,42)23-8-7-13-32-19-23)18-21-9-11-22(12-10-21)44-29(40)35-16-14-34(15-17-35)28(39)43-6;1-29(2,3)44-26(38)23(17-20-8-10-21(11-9-20)43-28(40)35-15-13-34(14-16-35)27(31)39)33-25(37)24-30(4,5)45-19-36(24)46(41,42)22-7-6-12-32-18-22;1-28(2,3)41-26(36)23(17-20-8-10-21(11-9-20)40-27(37)33-15-13-30-14-16-33)32-25(35)24-29(4,5)42-19-34(24)43(38,39)22-7-6-12-31-18-22;1-27(2)22(33(17-42-27)43(39,40)20-5-4-10-29-16-20)23(34)30-21(24(35)36)15-18-6-8-19(9-7-18)41-26(38)32-13-11-31(12-14-32)25(37)28-3;1-27(2)22(32(17-42-27)43(38,39)20-5-4-10-28-16-20)23(33)29-21(24(34)35)15-18-6-8-19(9-7-18)41-26(37)31-13-11-30(12-14-31)25(36)40-3;1-2(3)4/h7-13,19,24-25H,14-18,20H2,1-6H3,(H,32,40)(H,34,38);7-13,19,24-25H,14-18,20H2,1-6H3,(H,33,37);6-12,18,23-24H,13-17,19H2,1-5H3,(H,33,37);6-12,18,23-24,30H,13-17,19H2,1-5H3,(H,32,35);4-10,16,21-22H,11-15,17H2,1-3H3,(H,28,37)(H,30,34)(H,35,36);4-10,16,21-22H,11-15,17H2,1-3H3,(H,29,33)(H,34,35);1H3/t2*24-,25?;2*23-,24?;2*21-,22?;/m000000./s1
InChIKeyJPYLGYGHEVSZPF-LZLFLZABSA-N
XLogP14.77
TPSA1006.43 Ų
H-Bond Donors11
H-Bond Acceptors61
Rotatable Bonds48
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004061.67
LogP ≤ 514.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1061

Analyze acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate;methanol
CID 91463741
tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate;tert-butyl (2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate;4-O-tert-butyl 1-O-[4-[(2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1,4-dicarboxylate;tert-butyl piperazine-1-carboxylate;(2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propanoic acid;(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid;pyridine-3-sulfonic acid;pyridine-3-sulfonyl chloride;2,2,2-trifluoroacetaldehyde
CID 158833073
[4-[(2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[[4-[4-[(2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]carbonylpiperazine-1-carbonyl]amino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]piperazine-1-carboxylate
CID 58590029
1-O-[2-[2-[2,2-bis[2-[2-[4-[4-[(2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenoxy]carbonylpiperazine-1-carbonyl]oxyethoxy]ethoxymethyl]-3-[2-[2-[4-[4-[(2R)-4-[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidin-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxobutyl]phenoxy]carbonylpiperazine-1-carbonyl]oxyethoxy]ethoxy]propoxy]ethoxy]ethyl] 4-O-[4-[(2R)-4-[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidin-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxobutyl]phenyl] piperazine-1,4-dicarboxylate
CID 58091038
tert-butyl (2S)-3-(4-acetamidophenyl)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
CID 70850695
[4-[(2R)-2-[[(4S)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 10394284
[4-[(3S)-3-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]phenyl] 4-(4-isocyanatobenzoyl)piperazine-1-carboxylate
CID 142982364
tert-butyl (2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propanoate
CID 11993104
[4-[(2R)-4-[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidin-4-yl]-2-formyloxy-4-oxobutyl]phenyl] 4-[5-[2-[4-[4-[(2R)-4-[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidin-4-yl]-2-formyloxy-4-oxobutyl]phenoxy]carbonylpiperazin-1-yl]-2-oxoethoxy]-4,4-dimethylpentanoyl]piperazine-1-carboxylate
CID 159684363
tert-butyl (2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-[1-[2-hydroxy-2-(4-nitrophenoxy)ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]propanoate
CID 123506316
tert-butyl (2S)-2-[[(4R)-5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propaneperoxoate
CID 88908268
(2S)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-[4-(piperazine-1-carbonyloxy)phenyl]propanoic acid
CID 88999211

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate?
The IUPAC name of acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate (CID 158989186) is acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate.
What is the SMILES notation for acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate?
The canonical SMILES for acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate is CC(=O)Cl.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)Cl)CC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)NC(=O)C1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.CNC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)O)cc2)CC1.COC(=O)N1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)C3N(S(=O)(=O)c4cccnc4)CSC3(C)C)C(=O)OC(C)(C)C)cc2)CC1.
What is the InChIKey of acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate?
The InChIKey is JPYLGYGHEVSZPF-LZLFLZABSA-N. The full InChI is InChI=1S/C31H42N6O8S2.C31H41N5O9S2.C30H38ClN5O8S2.C29H39N5O7S2.C27H34N6O8S2.C27H33N5O9S2.C2H3ClO/c1-30(2,3)45-27(39)24(34-26(38)25-31(4,5)46-20-37(25)47(42,43)23-8-7-13-33-19-23)18-21-9-11-22(12-10-21)44-29(41)36-16-14-35(15-17-36)28(40)32-6;1-30(2,3)45-27(38)24(33-26(37)25-31(4,5)46-20-36(25)47(41,42)23-8-7-13-32-19-23)18-21-9-11-22(12-10-21)44-29(40)35-16-14-34(15-17-35)28(39)43-6;1-29(2,3)44-26(38)23(17-20-8-10-21(11-9-20)43-28(40)35-15-13-34(14-16-35)27(31)39)33-25(37)24-30(4,5)45-19-36(24)46(41,42)22-7-6-12-32-18-22;1-28(2,3)41-26(36)23(17-20-8-10-21(11-9-20)40-27(37)33-15-13-30-14-16-33)32-25(35)24-29(4,5)42-19-34(24)43(38,39)22-7-6-12-31-18-22;1-27(2)22(33(17-42-27)43(39,40)20-5-4-10-29-16-20)23(34)30-21(24(35)36)15-18-6-8-19(9-7-18)41-26(38)32-13-11-31(12-14-32)25(37)28-3;1-27(2)22(32(17-42-27)43(38,39)20-5-4-10-28-16-20)23(33)29-21(24(34)35)15-18-6-8-19(9-7-18)41-26(37)31-13-11-30(12-14-31)25(36)40-3;1-2(3)4/h7-13,19,24-25H,14-18,20H2,1-6H3,(H,32,40)(H,34,38);7-13,19,24-25H,14-18,20H2,1-6H3,(H,33,37);6-12,18,23-24H,13-17,19H2,1-5H3,(H,33,37);6-12,18,23-24,30H,13-17,19H2,1-5H3,(H,32,35);4-10,16,21-22H,11-15,17H2,1-3H3,(H,28,37)(H,30,34)(H,35,36);4-10,16,21-22H,11-15,17H2,1-3H3,(H,29,33)(H,34,35);1H3/t2*24-,25?;2*23-,24?;2*21-,22?;/m000000./s1.
What are the key properties of acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate?
acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate has a molecular weight of 4061.67 g/mol, XLogP of 14.77, 48 rotatable bonds, 11 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-(4-methoxycarbonylpiperazine-1-carbonyl)oxyphenyl]propanoic acid;(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[4-[4-(methylcarbamoyl)piperazine-1-carbonyl]oxyphenyl]propanoic acid;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-carbonochloridoylpiperazine-1-carboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-(methylcarbamoyl)piperazine-1-carboxylate;4-O-[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 1-O-methyl piperazine-1,4-dicarboxylate;[4-[(2S)-2-[(5,5-dimethyl-3-pyridin-3-ylsulfonyl-1,3-thiazolidine-4-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] piperazine-1-carboxylate is sourced from PubChem (CID 158989186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).