3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid

C124H236N18O36S9 — CID 161338381

IUPAC3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
SMILESCC(C)(C)[C@@H](NCCCS(=O)(=O)O)C(=O)NC1CCCCC1.CC(C)C[C@@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)C[C@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)NC(=O)[C@@H](NCCCS(=O)(=O)O)C(C)C.CC(C)NC(=O)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)(C)C.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)C.O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NCCCS(=O)(=O)O.O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O
InChIInChI=1S/2C18H28N2O4S.C15H30N2O4S.C15H24N2O4S.3C12H26N2O4S.2C11H24N2O4S/c2*21-18(20-16-10-5-2-6-11-16)17(14-15-8-3-1-4-9-15)19-12-7-13-25(22,23)24;1-15(2,3)13(16-10-7-11-22(19,20)21)14(18)17-12-8-5-4-6-9-12;1-12(2)17-15(18)14(11-13-7-4-3-5-8-13)16-9-6-10-22(19,20)21;1-9(2)14-11(15)10(12(3,4)5)13-7-6-8-19(16,17)18;2*1-9(2)8-11(12(15)14-10(3)4)13-6-5-7-19(16,17)18;2*1-8(2)10(11(14)13-9(3)4)12-6-5-7-18(15,16)17/h2*1,3-4,8-9,16-17,19H,2,5-7,10-14H2,(H,20,21)(H,22,23,24);12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20,21);3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,18)(H,19,20,21);9-10,13H,6-8H2,1-5H3,(H,14,15)(H,16,17,18);2*9-11,13H,5-8H2,1-4H3,(H,14,15)(H,16,17,18);2*8-10,12H,5-7H2,1-4H3,(H,13,14)(H,15,16,17)/t2*17-;13-;14-;10-;2*11-;2*10-/m100001010/s1
InChIKeyVMINSXWJWHLIIN-AGZUAQELSA-N
MW2843.94 g/mol
LogP9.72
Rot. Bonds75

About 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid

3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid (PubChem CID 161338381) has the molecular formula C124H236N18O36S9 and a molecular weight of 2843.94 g/mol. Its IUPAC name is 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid.

Molecular Properties

Compound Name3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
PubChem CID161338381
Molecular FormulaC124H236N18O36S9
Molecular Weight2843.94 g/mol
Exact Mass2841.47
IUPAC Name3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
SMILESCC(C)(C)[C@@H](NCCCS(=O)(=O)O)C(=O)NC1CCCCC1.CC(C)C[C@@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)C[C@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)NC(=O)[C@@H](NCCCS(=O)(=O)O)C(C)C.CC(C)NC(=O)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)(C)C.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)C.O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NCCCS(=O)(=O)O.O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O
InChIInChI=1S/2C18H28N2O4S.C15H30N2O4S.C15H24N2O4S.3C12H26N2O4S.2C11H24N2O4S/c2*21-18(20-16-10-5-2-6-11-16)17(14-15-8-3-1-4-9-15)19-12-7-13-25(22,23)24;1-15(2,3)13(16-10-7-11-22(19,20)21)14(18)17-12-8-5-4-6-9-12;1-12(2)17-15(18)14(11-13-7-4-3-5-8-13)16-9-6-10-22(19,20)21;1-9(2)14-11(15)10(12(3,4)5)13-7-6-8-19(16,17)18;2*1-9(2)8-11(12(15)14-10(3)4)13-6-5-7-19(16,17)18;2*1-8(2)10(11(14)13-9(3)4)12-6-5-7-18(15,16)17/h2*1,3-4,8-9,16-17,19H,2,5-7,10-14H2,(H,20,21)(H,22,23,24);12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20,21);3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,18)(H,19,20,21);9-10,13H,6-8H2,1-5H3,(H,14,15)(H,16,17,18);2*9-11,13H,5-8H2,1-4H3,(H,14,15)(H,16,17,18);2*8-10,12H,5-7H2,1-4H3,(H,13,14)(H,15,16,17)/t2*17-;13-;14-;10-;2*11-;2*10-/m100001010/s1
InChIKeyVMINSXWJWHLIIN-AGZUAQELSA-N
XLogP9.72
TPSA859.50 Ų
H-Bond Donors27
H-Bond Acceptors36
Rotatable Bonds75
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.94
LogP ≤ 59.72
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid?
The IUPAC name of 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid (CID 161338381) is 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid.
What is the SMILES notation for 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid?
The canonical SMILES for 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid is CC(C)(C)[C@@H](NCCCS(=O)(=O)O)C(=O)NC1CCCCC1.CC(C)C[C@@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)C[C@H](NCCCS(=O)(=O)O)C(=O)NC(C)C.CC(C)NC(=O)[C@@H](NCCCS(=O)(=O)O)C(C)C.CC(C)NC(=O)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)(C)C.CC(C)NC(=O)[C@H](NCCCS(=O)(=O)O)C(C)C.O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)NCCCS(=O)(=O)O.O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NCCCS(=O)(=O)O.
What is the InChIKey of 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid?
The InChIKey is VMINSXWJWHLIIN-AGZUAQELSA-N. The full InChI is InChI=1S/2C18H28N2O4S.C15H30N2O4S.C15H24N2O4S.3C12H26N2O4S.2C11H24N2O4S/c2*21-18(20-16-10-5-2-6-11-16)17(14-15-8-3-1-4-9-15)19-12-7-13-25(22,23)24;1-15(2,3)13(16-10-7-11-22(19,20)21)14(18)17-12-8-5-4-6-9-12;1-12(2)17-15(18)14(11-13-7-4-3-5-8-13)16-9-6-10-22(19,20)21;1-9(2)14-11(15)10(12(3,4)5)13-7-6-8-19(16,17)18;2*1-9(2)8-11(12(15)14-10(3)4)13-6-5-7-19(16,17)18;2*1-8(2)10(11(14)13-9(3)4)12-6-5-7-18(15,16)17/h2*1,3-4,8-9,16-17,19H,2,5-7,10-14H2,(H,20,21)(H,22,23,24);12-13,16H,4-11H2,1-3H3,(H,17,18)(H,19,20,21);3-5,7-8,12,14,16H,6,9-11H2,1-2H3,(H,17,18)(H,19,20,21);9-10,13H,6-8H2,1-5H3,(H,14,15)(H,16,17,18);2*9-11,13H,5-8H2,1-4H3,(H,14,15)(H,16,17,18);2*8-10,12H,5-7H2,1-4H3,(H,13,14)(H,15,16,17)/t2*17-;13-;14-;10-;2*11-;2*10-/m100001010/s1.
What are the key properties of 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid?
3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid has a molecular weight of 2843.94 g/mol, XLogP of 9.72, 75 rotatable bonds, 27 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3,3-dimethyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]propane-1-sulfonic acid;3-[[(2R)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]propane-1-sulfonic acid;3-[[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid is sourced from PubChem (CID 161338381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).