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

C125H168Cl2F3N21O37S10 — CID 158833073

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)C(=O)O.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)O.O=CC(F)(F)F.O=S(=O)(Cl)c1cccnc1.O=S(=O)(O)c1cccnc1
InChIInChI=1S/C34H47N5O9S2.C25H31N5O7S2.C24H31N3O6S2.C11H14N2O4S2.C10H17ClN2O3.C9H18N2O2.C5H4ClNO2S.C5H5NO3S.C2HF3O/c1-32(2,3)47-29(41)26(36-28(40)27-34(7,8)49-22-39(27)50(44,45)25-10-9-15-35-21-25)20-23-11-13-24(14-12-23)46-30(42)37-16-18-38(19-17-37)31(43)48-33(4,5)6;1-25(2)21(30(16-38-25)39(35,36)19-4-3-9-27-15-19)22(31)28-20(23(32)33)14-17-5-7-18(8-6-17)37-24(34)29-12-10-26-11-13-29;1-23(2,3)33-22(30)19(13-16-8-10-17(28)11-9-16)26-21(29)20-24(4,5)34-15-27(20)35(31,32)18-7-6-12-25-14-18;1-11(2)9(10(14)15)13(7-18-11)19(16,17)8-4-3-5-12-6-8;1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;6-10(8,9)5-2-1-3-7-4-5;7-10(8,9)5-2-1-3-6-4-5;3-2(4,5)1-6/h9-15,21,26-27H,16-20,22H2,1-8H3,(H,36,40);3-9,15,20-21,26H,10-14,16H2,1-2H3,(H,28,31)(H,32,33);6-12,14,19-20,28H,13,15H2,1-5H3,(H,26,29);3-6,9H,7H2,1-2H3,(H,14,15);4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4H;1-4H,(H,7,8,9);1H/t26-,27+;20-,21+;19-,20+;9-;;;;;/m0001...../s1
InChIKeyIXHFBZYZPAKVSV-ZVPRKSGBSA-N
MW3005.40 g/mol
LogP13.70
Rot. Bonds28

About 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

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 (PubChem CID 158833073) has the molecular formula C125H168Cl2F3N21O37S10 and a molecular weight of 3005.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158833073
Molecular FormulaC125H168Cl2F3N21O37S10
Molecular Weight3005.40 g/mol
Exact Mass3001.84
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)C(=O)O.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)O.O=CC(F)(F)F.O=S(=O)(Cl)c1cccnc1.O=S(=O)(O)c1cccnc1
InChIInChI=1S/C34H47N5O9S2.C25H31N5O7S2.C24H31N3O6S2.C11H14N2O4S2.C10H17ClN2O3.C9H18N2O2.C5H4ClNO2S.C5H5NO3S.C2HF3O/c1-32(2,3)47-29(41)26(36-28(40)27-34(7,8)49-22-39(27)50(44,45)25-10-9-15-35-21-25)20-23-11-13-24(14-12-23)46-30(42)37-16-18-38(19-17-37)31(43)48-33(4,5)6;1-25(2)21(30(16-38-25)39(35,36)19-4-3-9-27-15-19)22(31)28-20(23(32)33)14-17-5-7-18(8-6-17)37-24(34)29-12-10-26-11-13-29;1-23(2,3)33-22(30)19(13-16-8-10-17(28)11-9-16)26-21(29)20-24(4,5)34-15-27(20)35(31,32)18-7-6-12-25-14-18;1-11(2)9(10(14)15)13(7-18-11)19(16,17)8-4-3-5-12-6-8;1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;6-10(8,9)5-2-1-3-7-4-5;7-10(8,9)5-2-1-3-6-4-5;3-2(4,5)1-6/h9-15,21,26-27H,16-20,22H2,1-8H3,(H,36,40);3-9,15,20-21,26H,10-14,16H2,1-2H3,(H,28,31)(H,32,33);6-12,14,19-20,28H,13,15H2,1-5H3,(H,26,29);3-6,9H,7H2,1-2H3,(H,14,15);4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4H;1-4H,(H,7,8,9);1H/t26-,27+;20-,21+;19-,20+;9-;;;;;/m0001...../s1
InChIKeyIXHFBZYZPAKVSV-ZVPRKSGBSA-N
XLogP13.70
TPSA759.24 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds28
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003005.40
LogP ≤ 513.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCN(C(=O)Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cccnc2)CSC1(C)C.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCNCC2)cc1)C(=O)O.CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)O.O=CC(F)(F)F.O=S(=O)(Cl)c1cccnc1.O=S(=O)(O)c1cccnc1.
What is the InChIKey of 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?
The InChIKey is IXHFBZYZPAKVSV-ZVPRKSGBSA-N. The full InChI is InChI=1S/C34H47N5O9S2.C25H31N5O7S2.C24H31N3O6S2.C11H14N2O4S2.C10H17ClN2O3.C9H18N2O2.C5H4ClNO2S.C5H5NO3S.C2HF3O/c1-32(2,3)47-29(41)26(36-28(40)27-34(7,8)49-22-39(27)50(44,45)25-10-9-15-35-21-25)20-23-11-13-24(14-12-23)46-30(42)37-16-18-38(19-17-37)31(43)48-33(4,5)6;1-25(2)21(30(16-38-25)39(35,36)19-4-3-9-27-15-19)22(31)28-20(23(32)33)14-17-5-7-18(8-6-17)37-24(34)29-12-10-26-11-13-29;1-23(2,3)33-22(30)19(13-16-8-10-17(28)11-9-16)26-21(29)20-24(4,5)34-15-27(20)35(31,32)18-7-6-12-25-14-18;1-11(2)9(10(14)15)13(7-18-11)19(16,17)8-4-3-5-12-6-8;1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14;1-9(2,3)13-8(12)11-6-4-10-5-7-11;6-10(8,9)5-2-1-3-7-4-5;7-10(8,9)5-2-1-3-6-4-5;3-2(4,5)1-6/h9-15,21,26-27H,16-20,22H2,1-8H3,(H,36,40);3-9,15,20-21,26H,10-14,16H2,1-2H3,(H,28,31)(H,32,33);6-12,14,19-20,28H,13,15H2,1-5H3,(H,26,29);3-6,9H,7H2,1-2H3,(H,14,15);4-7H2,1-3H3;10H,4-7H2,1-3H3;1-4H;1-4H,(H,7,8,9);1H/t26-,27+;20-,21+;19-,20+;9-;;;;;/m0001...../s1.
What are the key properties of 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?
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 has a molecular weight of 3005.40 g/mol, XLogP of 13.70, 28 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158833073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).