About ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate
ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate (PubChem CID 161196957) has the molecular formula C109H130ClN15O24
and a molecular weight of 2069.77 g/mol. Its IUPAC name is ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate.
Frequently Asked Questions
What is the IUPAC name of ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate?
The IUPAC name of ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate (CID 161196957) is ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate.
What is the SMILES notation for ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate?
The canonical SMILES for ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate is C=CCC(C(=O)OCC)C1=NC(c2ccc(NC(=O)OC)cc2N)=CC1.C=CCC(C(=O)OCC)C1=NC(c2ccc(NC(=O)OC)cc2NC(=O)[C@H](C)C=C)=CC1.CCOC(=O)C1C/C=C/[C@@H](C)C(=O)Nc2cc(NC(=O)OC)ccc2C2=CCC1=N2.CCOC(=O)C1CCC[C@@H](C)C(=O)Nc2cc(NC(=O)OC)ccc2C2=C(Cl)CC1=N2.CCOC(=O)C1CCC[C@@H](C)C(=O)Nc2cc(NC(=O)OC)ccc2C2=CCC1=N2.
What is the InChIKey of ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate?
The InChIKey is UULWZCGQEKPWRQ-NOOGCBHMSA-N. The full InChI is InChI=1S/C24H29N3O5.C22H26ClN3O5.C22H27N3O5.C22H25N3O5.C19H23N3O4/c1-6-9-18(23(29)32-8-3)20-13-12-19(26-20)17-11-10-16(25-24(30)31-5)14-21(17)27-22(28)15(4)7-2;1-4-31-21(28)15-7-5-6-12(2)20(27)26-17-10-13(24-22(29)30-3)8-9-14(17)19-16(23)11-18(15)25-19;2*1-4-30-21(27)16-7-5-6-13(2)20(26)25-19-12-14(23-22(28)29-3)8-9-15(19)17-10-11-18(16)24-17;1-4-6-14(18(23)26-5-2)17-10-9-16(22-17)13-8-7-12(11-15(13)20)21-19(24)25-3/h6-7,10-12,14-15,18H,1-2,8-9,13H2,3-5H3,(H,25,30)(H,27,28);8-10,12,15H,4-7,11H2,1-3H3,(H,24,29)(H,26,27);8-10,12-13,16H,4-7,11H2,1-3H3,(H,23,28)(H,25,26);5-6,8-10,12-13,16H,4,7,11H2,1-3H3,(H,23,28)(H,25,26);4,7-9,11,14H,1,5-6,10,20H2,2-3H3,(H,21,24)/b;;;6-5+;/t15-,18?;12-,15?;2*13-,16?;/m1111./s1.
What are the key properties of ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate?
ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate has a molecular weight of 2069.77 g/mol, XLogP of 20.26, 26 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-amino-4-(methoxycarbonylamino)phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R)-17-chloro-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate;ethyl 2-[5-[4-(methoxycarbonylamino)-2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]-3H-pyrrol-2-yl]pent-4-enoate;ethyl (10R,11E)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,11,15(18)-hexaene-14-carboxylate;ethyl (10R)-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaene-14-carboxylate is sourced from PubChem (CID 161196957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).