About (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide
(2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide (PubChem CID 159502296) has the molecular formula C164H256N10O29S5
and a molecular weight of 2992.23 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide (CID 159502296) is (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide is C#CC[C@H](NC(=O)[C@H](Cc1ccccc1)CS(=O)C(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC=C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)C(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)CC(C)C.CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide?
The InChIKey is LZNSGXHMFNYXQO-HUBIMDQTSA-N. The full InChI is InChI=1S/C35H52N2O6S.C34H50N2O6S.C32H54N2O6S.C32H48N2O5S.C31H52N2O6S/c1-25(2)19-32(38)33(39)31(21-28-15-9-5-10-16-28)37-34(40)26(3)22-36-35(41)30(20-27-13-7-4-8-14-27)24-44(42,43)23-29-17-11-6-12-18-29;1-24(2)19-31(37)32(38)30(21-27-15-9-5-10-16-27)36-33(39)25(3)22-35-34(40)28(20-26-13-7-4-8-14-26)23-43(41,42)29-17-11-6-12-18-29;1-22(2)16-29(35)30(36)28(18-26-14-10-7-11-15-26)34-31(37)24(5)19-33-32(38)27(17-25-12-8-6-9-13-25)21-41(39,40)20-23(3)4;1-6-14-26(31(38)34-27(29(36)28(35)15-7-2)21-24-18-12-9-13-19-24)33-30(37)25(22-40(39)32(3,4)5)20-23-16-10-8-11-17-23;1-21(2)16-28(34)29(35)27(18-25-14-10-7-11-15-25)33-30(36)23(5)19-32-31(37)26(20-40(38,39)22(3)4)17-24-12-8-6-9-13-24/h4,6-8,11-14,17-18,25-26,28,30-33,38-39H,5,9-10,15-16,19-24H2,1-3H3,(H,36,41)(H,37,40);4,6-8,11-14,17-18,24-25,27-28,30-32,37-38H,5,9-10,15-16,19-23H2,1-3H3,(H,35,40)(H,36,39);6,8-9,12-13,22-24,26-30,35-36H,7,10-11,14-21H2,1-5H3,(H,33,38)(H,34,37);1,7-8,10-11,16-17,24-29,35-36H,2,9,12-15,18-22H2,3-5H3,(H,33,37)(H,34,38);6,8-9,12-13,21-23,25-29,34-35H,7,10-11,14-20H2,1-5H3,(H,32,37)(H,33,36)/t26-,30?,31+,32+,33-;25-,28-,30+,31+,32-;24-,27-,28+,29+,30-;25-,26+,27+,28+,29-,40?;23-,26-,27+,28+,29-/m11111/s1.
What are the key properties of (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide?
(2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide has a molecular weight of 2992.23 g/mol, XLogP of 19.92, 81 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonylmethyl)-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-phenylpropanamide;(2S)-2-benzyl-3-benzylsulfonyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]propanamide;(2S)-2-[[(2S)-2-benzyl-3-tert-butylsulfinylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyhept-6-en-2-yl]pent-4-ynamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-(2-methylpropylsulfonyl)propanamide;(2S)-2-benzyl-N-[(2R)-3-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-methyl-3-oxopropyl]-3-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 159502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).