dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride

C169H264ClLi2N17O29S7 — CID 159542929

IUPACdilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride
SMILESC/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.CC(C)(S)[C@H](N)C(=O)O.CC1(C)SC(c2ccccc2)N[C@@H]1C(=O)O.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C)N(C)C(=O)[C@@H](N)C(C)(C)C.CN1C(c2ccccc2)SC(C)(C)[C@H]1C(=O)O.CO.Cl.O=Cc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/2C30H47N3O4S.2C28H43N3O4S.C15H28N2O3.C13H17NO2S.C12H15NO2S.C7H6O.C5H11NO2S.CH4O.ClH.2Li.2H2O/c2*1-12-37-28(36)20(4)18-22(19(2)3)32(10)26(35)23(29(5,6)7)31-25(34)24-30(8,9)38-27(33(24)11)21-16-14-13-15-17-21;2*1-17(2)20(16-18(3)26(34)35)30(9)24(33)21(27(4,5)6)29-23(32)22-28(7,8)36-25(31(22)10)19-14-12-11-13-15-19;1-8-20-14(19)10(2)9-11(3)17(7)13(18)12(16)15(4,5)6;1-13(2)10(12(15)16)14(3)11(17-13)9-7-5-4-6-8-9;1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;1-5(2,9)3(6)4(7)8;1-2;;;;;/h2*13-19,22-24,27H,12H2,1-11H3,(H,31,34);2*11-17,20-22,25H,1-10H3,(H,29,32)(H,34,35);9,11-12H,8,16H2,1-7H3;4-8,10-11H,1-3H3,(H,15,16);3-7,9-10,13H,1-2H3,(H,14,15);1-6H;3,9H,6H2,1-2H3,(H,7,8);2H,1H3;1H;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2/b2*20-18+;2*18-16+;10-9+;;;;;;;;;;/t22-,23-,24-,27+;22-,23-,24-,27-;20-,21-,22-,25+;20-,21-,22-,25-;11-,12+;10-,11?;9-,10?;;3-;;;;;;/m1111011.1....../s1
InChIKeyKONPURDZUBRJAW-IZCSIHEGSA-L
MW3271.86 g/mol
LogP21.04
Rot. Bonds46

About dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride

dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride (PubChem CID 159542929) has the molecular formula C169H264ClLi2N17O29S7 and a molecular weight of 3271.86 g/mol. Its IUPAC name is dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride.

Molecular Properties

Compound Namedilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride
PubChem CID159542929
Molecular FormulaC169H264ClLi2N17O29S7
Molecular Weight3271.86 g/mol
Exact Mass3268.78
IUPAC Namedilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride
SMILESC/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.CC(C)(S)[C@H](N)C(=O)O.CC1(C)SC(c2ccccc2)N[C@@H]1C(=O)O.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C)N(C)C(=O)[C@@H](N)C(C)(C)C.CN1C(c2ccccc2)SC(C)(C)[C@H]1C(=O)O.CO.Cl.O=Cc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/2C30H47N3O4S.2C28H43N3O4S.C15H28N2O3.C13H17NO2S.C12H15NO2S.C7H6O.C5H11NO2S.CH4O.ClH.2Li.2H2O/c2*1-12-37-28(36)20(4)18-22(19(2)3)32(10)26(35)23(29(5,6)7)31-25(34)24-30(8,9)38-27(33(24)11)21-16-14-13-15-17-21;2*1-17(2)20(16-18(3)26(34)35)30(9)24(33)21(27(4,5)6)29-23(32)22-28(7,8)36-25(31(22)10)19-14-12-11-13-15-19;1-8-20-14(19)10(2)9-11(3)17(7)13(18)12(16)15(4,5)6;1-13(2)10(12(15)16)14(3)11(17-13)9-7-5-4-6-8-9;1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;1-5(2,9)3(6)4(7)8;1-2;;;;;/h2*13-19,22-24,27H,12H2,1-11H3,(H,31,34);2*11-17,20-22,25H,1-10H3,(H,29,32)(H,34,35);9,11-12H,8,16H2,1-7H3;4-8,10-11H,1-3H3,(H,15,16);3-7,9-10,13H,1-2H3,(H,14,15);1-6H;3,9H,6H2,1-2H3,(H,7,8);2H,1H3;1H;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2/b2*20-18+;2*18-16+;10-9+;;;;;;;;;;/t22-,23-,24-,27+;22-,23-,24-,27-;20-,21-,22-,25+;20-,21-,22-,25-;11-,12+;10-,11?;9-,10?;;3-;;;;;;/m1111011.1....../s1
InChIKeyKONPURDZUBRJAW-IZCSIHEGSA-L
XLogP21.04
TPSA660.92 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003271.86
LogP ≤ 521.04
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride?
The IUPAC name of dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride (CID 159542929) is dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride.
What is the SMILES notation for dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride?
The canonical SMILES for dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride is C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C)C(=O)O.CC(C)(S)[C@H](N)C(=O)O.CC1(C)SC(c2ccccc2)N[C@@H]1C(=O)O.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1N(C)[C@H](c2ccccc2)SC1(C)C)C(C)(C)C.CCOC(=O)/C(C)=C/[C@H](C)N(C)C(=O)[C@@H](N)C(C)(C)C.CN1C(c2ccccc2)SC(C)(C)[C@H]1C(=O)O.CO.Cl.O=Cc1ccccc1.[Li+].[Li+].[OH-].[OH-].
What is the InChIKey of dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride?
The InChIKey is KONPURDZUBRJAW-IZCSIHEGSA-L. The full InChI is InChI=1S/2C30H47N3O4S.2C28H43N3O4S.C15H28N2O3.C13H17NO2S.C12H15NO2S.C7H6O.C5H11NO2S.CH4O.ClH.2Li.2H2O/c2*1-12-37-28(36)20(4)18-22(19(2)3)32(10)26(35)23(29(5,6)7)31-25(34)24-30(8,9)38-27(33(24)11)21-16-14-13-15-17-21;2*1-17(2)20(16-18(3)26(34)35)30(9)24(33)21(27(4,5)6)29-23(32)22-28(7,8)36-25(31(22)10)19-14-12-11-13-15-19;1-8-20-14(19)10(2)9-11(3)17(7)13(18)12(16)15(4,5)6;1-13(2)10(12(15)16)14(3)11(17-13)9-7-5-4-6-8-9;1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;1-5(2,9)3(6)4(7)8;1-2;;;;;/h2*13-19,22-24,27H,12H2,1-11H3,(H,31,34);2*11-17,20-22,25H,1-10H3,(H,29,32)(H,34,35);9,11-12H,8,16H2,1-7H3;4-8,10-11H,1-3H3,(H,15,16);3-7,9-10,13H,1-2H3,(H,14,15);1-6H;3,9H,6H2,1-2H3,(H,7,8);2H,1H3;1H;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2/b2*20-18+;2*18-16+;10-9+;;;;;;;;;;/t22-,23-,24-,27+;22-,23-,24-,27-;20-,21-,22-,25+;20-,21-,22-,25-;11-,12+;10-,11?;9-,10?;;3-;;;;;;/m1111011.1....../s1.
What are the key properties of dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride?
dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride has a molecular weight of 3271.86 g/mol, XLogP of 21.04, 46 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;benzaldehyde;(4R)-5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2-methylpent-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S,4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate;methanol;(4R)-3,5,5-trimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid;dihydroxide;hydrochloride is sourced from PubChem (CID 159542929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).