(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide

C226H306N16O54S2 — CID 159197321

IUPAC(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
SMILESC=CCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@](OC)(c2ccc3cc(OC)c(C=C)cc3c2)C[C@H]1C(=O)OC)C1CCOCC1.C=CCC(C)(C)CCOC(=O)N[C@H](C(=O)O)C1CCOCC1.C=Cc1cc2cc([C@@]3(OC)CN[C@H](C(=O)OC)C3)ccc2cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CC=Cc1cc3cc2ccc3cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CCCc1cc3cc2ccc3cc1OC.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)O.N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1
InChIInChI=1S/C43H58N4O10S.C36H48N2O8.C34H46N2O8.C34H44N2O8.C33H44N2O8.C20H23NO4.C16H27NO5.C10H16N2O3S/c1-41(2)15-5-6-29-20-30-21-31(10-9-28(30)22-35(29)54-3)42(55-4)24-34(47(25-42)38(49)36(27-13-17-56-18-14-27)44-40(51)57-19-16-41)37(48)45-43(23-33(43)26-7-8-26)39(50)46-58(52,53)32-11-12-32;1-8-14-35(3,4)15-18-46-34(41)37-31(25-12-16-45-17-13-25)32(39)38-23-36(44-7,22-29(38)33(40)43-6)28-11-10-26-21-30(42-5)24(9-2)19-27(26)20-28;2*1-33(2)12-6-7-24-17-25-18-26(9-8-23(25)19-28(24)40-3)34(42-5)20-27(31(38)41-4)36(21-34)30(37)29(22-10-14-43-15-11-22)35-32(39)44-16-13-33;1-32(2)11-5-6-23-16-24-17-25(8-7-22(24)18-27(23)40-3)33(41-4)19-26(30(37)38)35(20-33)29(36)28(21-9-13-42-14-10-21)34-31(39)43-15-12-32;1-5-13-8-15-9-16(7-6-14(15)10-18(13)23-2)20(25-4)11-17(21-12-20)19(22)24-3;1-4-7-16(2,3)8-11-22-15(20)17-13(14(18)19)12-5-9-21-10-6-12;11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h9-10,20-22,26-27,32-34,36H,5-8,11-19,23-25H2,1-4H3,(H,44,51)(H,45,48)(H,46,50);8-11,19-21,25,29,31H,1-2,12-18,22-23H2,3-7H3,(H,37,41);8-9,17-19,22,27,29H,6-7,10-16,20-21H2,1-5H3,(H,35,39);6-9,17-19,22,27,29H,10-16,20-21H2,1-5H3,(H,35,39);7-8,16-18,21,26,28H,5-6,9-15,19-20H2,1-4H3,(H,34,39)(H,37,38);5-10,17,21H,1,11-12H2,2-4H3;4,12-13H,1,5-11H2,2-3H3,(H,17,20)(H,18,19);6-8H,1-5,11H2,(H,12,13)/t33-,34-,36-,42-,43+;29-,31-,36-;2*27-,29-,34-;26-,28-,33-;17-,20-;13-;8-,10+/m00000000/s1
InChIKeyKOVFSCXHQBSEGC-MTPKCCIUSA-N
MW4175.13 g/mol
LogP29.46
Rot. Bonds51

About (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide

(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide (PubChem CID 159197321) has the molecular formula C226H306N16O54S2 and a molecular weight of 4175.13 g/mol. Its IUPAC name is (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
PubChem CID159197321
Molecular FormulaC226H306N16O54S2
Molecular Weight4175.13 g/mol
Exact Mass4172.11
IUPAC Name(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
SMILESC=CCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@](OC)(c2ccc3cc(OC)c(C=C)cc3c2)C[C@H]1C(=O)OC)C1CCOCC1.C=CCC(C)(C)CCOC(=O)N[C@H](C(=O)O)C1CCOCC1.C=Cc1cc2cc([C@@]3(OC)CN[C@H](C(=O)OC)C3)ccc2cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CC=Cc1cc3cc2ccc3cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CCCc1cc3cc2ccc3cc1OC.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)O.N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1
InChIInChI=1S/C43H58N4O10S.C36H48N2O8.C34H46N2O8.C34H44N2O8.C33H44N2O8.C20H23NO4.C16H27NO5.C10H16N2O3S/c1-41(2)15-5-6-29-20-30-21-31(10-9-28(30)22-35(29)54-3)42(55-4)24-34(47(25-42)38(49)36(27-13-17-56-18-14-27)44-40(51)57-19-16-41)37(48)45-43(23-33(43)26-7-8-26)39(50)46-58(52,53)32-11-12-32;1-8-14-35(3,4)15-18-46-34(41)37-31(25-12-16-45-17-13-25)32(39)38-23-36(44-7,22-29(38)33(40)43-6)28-11-10-26-21-30(42-5)24(9-2)19-27(26)20-28;2*1-33(2)12-6-7-24-17-25-18-26(9-8-23(25)19-28(24)40-3)34(42-5)20-27(31(38)41-4)36(21-34)30(37)29(22-10-14-43-15-11-22)35-32(39)44-16-13-33;1-32(2)11-5-6-23-16-24-17-25(8-7-22(24)18-27(23)40-3)33(41-4)19-26(30(37)38)35(20-33)29(36)28(21-9-13-42-14-10-21)34-31(39)43-15-12-32;1-5-13-8-15-9-16(7-6-14(15)10-18(13)23-2)20(25-4)11-17(21-12-20)19(22)24-3;1-4-7-16(2,3)8-11-22-15(20)17-13(14(18)19)12-5-9-21-10-6-12;11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h9-10,20-22,26-27,32-34,36H,5-8,11-19,23-25H2,1-4H3,(H,44,51)(H,45,48)(H,46,50);8-11,19-21,25,29,31H,1-2,12-18,22-23H2,3-7H3,(H,37,41);8-9,17-19,22,27,29H,6-7,10-16,20-21H2,1-5H3,(H,35,39);6-9,17-19,22,27,29H,10-16,20-21H2,1-5H3,(H,35,39);7-8,16-18,21,26,28H,5-6,9-15,19-20H2,1-4H3,(H,34,39)(H,37,38);5-10,17,21H,1,11-12H2,2-4H3;4,12-13H,1,5-11H2,2-3H3,(H,17,20)(H,18,19);6-8H,1-5,11H2,(H,12,13)/t33-,34-,36-,42-,43+;29-,31-,36-;2*27-,29-,34-;26-,28-,33-;17-,20-;13-;8-,10+/m00000000/s1
InChIKeyKOVFSCXHQBSEGC-MTPKCCIUSA-N
XLogP29.46
TPSA871.10 Ų
H-Bond Donors13
H-Bond Acceptors54
Rotatable Bonds51
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004175.13
LogP ≤ 529.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1054

Analyze (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S,7S)-7-tert-butyl-N-[(1R,2R)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 90704637
(2R,4S,7S)-19-bromo-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 160561815
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 45254917
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 158063954
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,17-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[14.6.2.12,5.020,24]pentacosa-1(23),16,18,20(24),21-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-2,17-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[14.6.2.12,5.020,24]pentacosa-1(23),16,18,20(24),21-pentaene-4-carboxylic acid;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
CID 158478586
(2R,4S,7S,14Z)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,17-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[14.5.3.12,5.019,23]pentacosa-1(22),14,16,18,20,23-hexaene-4-carboxamide
CID 45102621
methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate
CID 59266474
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 45254720
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;methane
CID 159997308
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-hydroxy-18-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
CID 45255555
methyl (2R,4S,7S)-7-tert-butyl-18-methoxy-2-(methoxymethoxy)-13,13-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate
CID 91116361
methyl (2R,4S,7S)-7-tert-butyl-2,20-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[17.5.3.12,5.022,26]octacosa-1(25),17,19,21,23,26-hexaene-4-carboxylate
CID 70895011

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide (CID 159197321) is (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide is C=CCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@](OC)(c2ccc3cc(OC)c(C=C)cc3c2)C[C@H]1C(=O)OC)C1CCOCC1.C=CCC(C)(C)CCOC(=O)N[C@H](C(=O)O)C1CCOCC1.C=Cc1cc2cc([C@@]3(OC)CN[C@H](C(=O)OC)C3)ccc2cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CC=Cc1cc3cc2ccc3cc1OC.COC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC(C)(C)CCCc1cc3cc2ccc3cc1OC.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1.COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)O.N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1.
What is the InChIKey of (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The InChIKey is KOVFSCXHQBSEGC-MTPKCCIUSA-N. The full InChI is InChI=1S/C43H58N4O10S.C36H48N2O8.C34H46N2O8.C34H44N2O8.C33H44N2O8.C20H23NO4.C16H27NO5.C10H16N2O3S/c1-41(2)15-5-6-29-20-30-21-31(10-9-28(30)22-35(29)54-3)42(55-4)24-34(47(25-42)38(49)36(27-13-17-56-18-14-27)44-40(51)57-19-16-41)37(48)45-43(23-33(43)26-7-8-26)39(50)46-58(52,53)32-11-12-32;1-8-14-35(3,4)15-18-46-34(41)37-31(25-12-16-45-17-13-25)32(39)38-23-36(44-7,22-29(38)33(40)43-6)28-11-10-26-21-30(42-5)24(9-2)19-27(26)20-28;2*1-33(2)12-6-7-24-17-25-18-26(9-8-23(25)19-28(24)40-3)34(42-5)20-27(31(38)41-4)36(21-34)30(37)29(22-10-14-43-15-11-22)35-32(39)44-16-13-33;1-32(2)11-5-6-23-16-24-17-25(8-7-22(24)18-27(23)40-3)33(41-4)19-26(30(37)38)35(20-33)29(36)28(21-9-13-42-14-10-21)34-31(39)43-15-12-32;1-5-13-8-15-9-16(7-6-14(15)10-18(13)23-2)20(25-4)11-17(21-12-20)19(22)24-3;1-4-7-16(2,3)8-11-22-15(20)17-13(14(18)19)12-5-9-21-10-6-12;11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h9-10,20-22,26-27,32-34,36H,5-8,11-19,23-25H2,1-4H3,(H,44,51)(H,45,48)(H,46,50);8-11,19-21,25,29,31H,1-2,12-18,22-23H2,3-7H3,(H,37,41);8-9,17-19,22,27,29H,6-7,10-16,20-21H2,1-5H3,(H,35,39);6-9,17-19,22,27,29H,10-16,20-21H2,1-5H3,(H,35,39);7-8,16-18,21,26,28H,5-6,9-15,19-20H2,1-4H3,(H,34,39)(H,37,38);5-10,17,21H,1,11-12H2,2-4H3;4,12-13H,1,5-11H2,2-3H3,(H,17,20)(H,18,19);6-8H,1-5,11H2,(H,12,13)/t33-,34-,36-,42-,43+;29-,31-,36-;2*27-,29-,34-;26-,28-,33-;17-,20-;13-;8-,10+/m00000000/s1.
What are the key properties of (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
(2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide has a molecular weight of 4175.13 g/mol, XLogP of 29.46, 51 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7S)-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide;(2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylic acid;(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetic acid;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),15,17,19,21,24-hexaene-4-carboxylate;methyl (2R,4S,7S)-2,18-dimethoxy-13,13-dimethyl-7-(oxan-4-yl)-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxylate;methyl (2S,4R)-1-[(2S)-2-(3,3-dimethylhex-5-enoxycarbonylamino)-2-(oxan-4-yl)acetyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;methyl (2S,4R)-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidine-2-carboxylate;trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 159197321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).