About 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 157094552) has the molecular formula C108H161N9O35
and a molecular weight of 2145.50 g/mol. Its IUPAC name is 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 157094552) is 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCOc1c2c(cc(OC)c1OC)CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1)C2.CC[C@]1(C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C2CCc3c(c(N(C)C)c(OC)c(OC)c3OC)C2)CO1.COc1cc2c(c(OC)c1OC)CC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1)CC2.COc1cc2c(c(OC)c1OC)CCC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1)C2.
What is the InChIKey of 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AFBBLHMLGYFWAT-RPENXQMTSA-N. The full InChI is InChI=1S/C29H45N3O8.C27H40N2O9.2C26H38N2O9/c1-9-29(15-40-29)26(34)20(12-16(2)3)30-28(36)21(14-33)31-27(35)17-10-11-18-19(13-17)22(32(4)5)24(38-7)25(39-8)23(18)37-6;1-6-37-22-18-10-17(8-7-16(18)11-21(35-4)23(22)36-5)25(33)29-20(12-30)26(34)28-19(9-15(2)3)24(32)27(13-31)14-38-27;1-14(2)8-18(23(31)26(12-30)13-37-26)27-25(33)19(11-29)28-24(32)16-7-6-15-10-20(34-3)22(36-5)21(35-4)17(15)9-16;1-14(2)8-18(23(31)26(12-30)13-37-26)27-25(33)19(11-29)28-24(32)15-6-7-17-16(9-15)10-20(34-3)22(36-5)21(17)35-4/h16-17,20-21,33H,9-15H2,1-8H3,(H,30,36)(H,31,35);11,15,17,19-20,30-31H,6-10,12-14H2,1-5H3,(H,28,34)(H,29,33);10,14,16,18-19,29-30H,6-9,11-13H2,1-5H3,(H,27,33)(H,28,32);10,14-15,18-19,29-30H,6-9,11-13H2,1-5H3,(H,27,33)(H,28,32)/t17?,20-,21-,29+;17?,19-,20-,27+;16?,18-,19-,26+;15?,18-,19-,26+/m0000/s1.
What are the key properties of 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 2145.50 g/mol, XLogP of 2.50, 54 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-N-[(2S)-1-[[(2S)-1-[(2R)-2-ethyloxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;8-ethoxy-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8-trimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 157094552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).