About tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate (PubChem CID 159707334) has the molecular formula C119H174Br2Cl2N12O24
and a molecular weight of 2387.47 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate (CID 159707334) is tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CC1)C(=O)C(N)=O)C2(Br)Br)C1CCCCC1.CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C1CCCCC1.CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1.CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?
The InChIKey is MYJOOGAPHKNKBW-PENGFBRXSA-N. The full InChI is InChI=1S/C33H45N3O6.C31H49N3O6.C28H41Cl2N3O6.C27H39Br2N3O6/c1-17(2)18(3)42-32(41)35-27(22-13-20-8-6-7-9-21(20)14-22)31(40)36-16-24-26(33(24,4)5)28(36)25(37)15-23(12-19-10-11-19)29(38)30(34)39;1-17(2)18(3)40-30(39)33-25(20-12-7-6-8-13-20)29(38)34-16-22-24(31(22,4)5)26(34)23(35)15-21(27(36)28(32)37)14-19-10-9-11-19;1-27(2,3)39-26(38)32-21(16-10-5-4-6-11-16)25(37)33-14-18-20(28(18,29)30)22(33)19(34)13-17(23(35)24(31)36)12-15-8-7-9-15;1-26(2,3)38-25(37)31-20(15-7-5-4-6-8-15)24(36)32-13-17-19(27(17,28)29)21(32)18(33)12-16(11-14-9-10-14)22(34)23(30)35/h6-9,17-19,22-24,26-28H,10-16H2,1-5H3,(H2,34,39)(H,35,41);17-22,24-26H,6-16H2,1-5H3,(H2,32,37)(H,33,39);15-18,20-22H,4-14H2,1-3H3,(H2,31,36)(H,32,38);14-17,19-21H,4-13H2,1-3H3,(H2,30,35)(H,31,37)/t18-,23?,24+,26+,27+,28-;18-,21?,22+,24+,25+,26-;17?,18-,20-,21-,22+;16?,17-,19-,20-,21+/m1100/s1.
What are the key properties of tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?
tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate has a molecular weight of 2387.47 g/mol, XLogP of 15.21, 44 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dibromo-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclobutylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[5-amino-3-(cyclopropylmethyl)-4,5-dioxopentanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 159707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).