(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide

C218H308N26O44 — CID 159363691

IUPAC(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
SMILESC=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC=C.C=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O
InChIInChI=1S/C45H62N6O9.C36H52N4O7.C36H50N4O7.C35H50N4O7.C33H48N4O7.C33H46N4O7/c1-6-7-21-34(40(54)42(56)46-27-37(53)49-38(43(57)50(4)5)30-16-10-8-11-17-30)47-41(55)35-26-33-28-51(35)44(58)39(31-18-12-9-13-19-31)48-36(52)25-29-15-14-20-32(24-29)59-23-22-45(2,3)60-33;2*1-5-7-16-28(32(42)34(44)37-18-6-2)38-33(43)29-22-27-23-40(29)35(45)31(25-13-9-8-10-14-25)39-30(41)21-24-12-11-15-26(20-24)46-19-17-36(3,4)47-27;1-5-11-27(31(41)33(43)36-17-6-2)37-32(42)28-21-26-22-39(28)34(44)30(24-13-8-7-9-14-24)38-29(40)20-23-12-10-15-25(19-23)45-18-16-35(3,4)46-26;2*1-4-5-14-25(29(39)30(34)40)35-31(41)26-19-24-20-37(26)32(42)28(22-11-7-6-8-12-22)36-27(38)18-21-10-9-13-23(17-21)43-16-15-33(2,3)44-24/h8,10-11,14-17,20,24,31,33-35,38-39H,6-7,9,12-13,18-19,21-23,25-28H2,1-5H3,(H,46,56)(H,47,55)(H,48,52)(H,49,53);6,11-12,15,20,25,27-29,31H,2,5,7-10,13-14,16-19,21-23H2,1,3-4H3,(H,37,44)(H,38,43)(H,39,41);5-6,11-12,15,20,25,27-29,31H,1-2,7-10,13-14,16-19,21-23H2,3-4H3,(H,37,44)(H,38,43)(H,39,41);6,10,12,15,19,24,26-28,30H,2,5,7-9,11,13-14,16-18,20-22H2,1,3-4H3,(H,36,43)(H,37,42)(H,38,40);9-10,13,17,22,24-26,28H,4-8,11-12,14-16,18-20H2,1-3H3,(H2,34,40)(H,35,41)(H,36,38);4,9-10,13,17,22,24-26,28H,1,5-8,11-12,14-16,18-20H2,2-3H3,(H2,34,40)(H,35,41)(H,36,38)/t33-,34?,35+,38+,39+;2*27-,28?,29+,31+;26-,27?,28+,30+;2*24-,25?,26+,28+/m111111/s1
InChIKeyLIVWWGQTYZMPMX-LDFVJOTBSA-N
MW3997.00 g/mol
LogP17.61
Rot. Bonds58

About (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide

(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide (PubChem CID 159363691) has the molecular formula C218H308N26O44 and a molecular weight of 3997.00 g/mol. Its IUPAC name is (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide.

Molecular Properties

Compound Name(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
PubChem CID159363691
Molecular FormulaC218H308N26O44
Molecular Weight3997.00 g/mol
Exact Mass3994.27
IUPAC Name(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
SMILESC=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC=C.C=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O
InChIInChI=1S/C45H62N6O9.C36H52N4O7.C36H50N4O7.C35H50N4O7.C33H48N4O7.C33H46N4O7/c1-6-7-21-34(40(54)42(56)46-27-37(53)49-38(43(57)50(4)5)30-16-10-8-11-17-30)47-41(55)35-26-33-28-51(35)44(58)39(31-18-12-9-13-19-31)48-36(52)25-29-15-14-20-32(24-29)59-23-22-45(2,3)60-33;2*1-5-7-16-28(32(42)34(44)37-18-6-2)38-33(43)29-22-27-23-40(29)35(45)31(25-13-9-8-10-14-25)39-30(41)21-24-12-11-15-26(20-24)46-19-17-36(3,4)47-27;1-5-11-27(31(41)33(43)36-17-6-2)37-32(42)28-21-26-22-39(28)34(44)30(24-13-8-7-9-14-24)38-29(40)20-23-12-10-15-25(19-23)45-18-16-35(3,4)46-26;2*1-4-5-14-25(29(39)30(34)40)35-31(41)26-19-24-20-37(26)32(42)28(22-11-7-6-8-12-22)36-27(38)18-21-10-9-13-23(17-21)43-16-15-33(2,3)44-24/h8,10-11,14-17,20,24,31,33-35,38-39H,6-7,9,12-13,18-19,21-23,25-28H2,1-5H3,(H,46,56)(H,47,55)(H,48,52)(H,49,53);6,11-12,15,20,25,27-29,31H,2,5,7-10,13-14,16-19,21-23H2,1,3-4H3,(H,37,44)(H,38,43)(H,39,41);5-6,11-12,15,20,25,27-29,31H,1-2,7-10,13-14,16-19,21-23H2,3-4H3,(H,37,44)(H,38,43)(H,39,41);6,10,12,15,19,24,26-28,30H,2,5,7-9,11,13-14,16-18,20-22H2,1,3-4H3,(H,36,43)(H,37,42)(H,38,40);9-10,13,17,22,24-26,28H,4-8,11-12,14-16,18-20H2,1-3H3,(H2,34,40)(H,35,41)(H,36,38);4,9-10,13,17,22,24-26,28H,1,5-8,11-12,14-16,18-20H2,2-3H3,(H2,34,40)(H,35,41)(H,36,38)/t33-,34?,35+,38+,39+;2*27-,28?,29+,31+;26-,27?,28+,30+;2*24-,25?,26+,28+/m111111/s1
InChIKeyLIVWWGQTYZMPMX-LDFVJOTBSA-N
XLogP17.61
TPSA936.23 Ų
H-Bond Donors19
H-Bond Acceptors44
Rotatable Bonds58
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003997.00
LogP ≤ 517.61
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1044

Analyze (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-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

(7R,9S,12S)-12-cyclopentyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
CID 59906939
(6R,8S,11R)-11-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(18),15(19),16-triene-8-carboxamide
CID 15976368
(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-hydroxy-1-oxohexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
CID 59907008
(7R,9S,12S)-12-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-15-methyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(20),17(21),18-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[(3R)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-15-methyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(20),17(21),18-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-5,5,15-trimethyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(20),17(21),18-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[(3R)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-5,5,15-trimethyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(20),17(21),18-triene-9-carboxamide
CID 169427136
(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-6,6,11,14-tetraoxo-2-oxa-6λ6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
CID 11686521
(7R,9S,12S)-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
CID 11672192
(8S,10R)-N-(1-amino-1,2-dioxohexan-3-yl)-5-cyclohexyl-12,12-dimethyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide
CID 58766414
(7R,12R)-12-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-15-methyl-11,14-dioxo-2,6-dioxa-10,13,15-triazatricyclo[15.3.1.17,10]docosa-1(20),17(21),18-triene-9-carboxamide
CID 15966767
tert-butyl (2S)-2-[[2-[[3-[[(6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(18),15(19),16-triene-8-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate;(6R,8S,11S)-11-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(18),15(19),16-triene-8-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[(3R)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(2S)-2-[[2-[[3-[[(6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(18),15(19),16-triene-8-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid;methane
CID 159899320
(7R,9S,12S)-12-tert-butyl-N-[(3S)-1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide
CID 11614725
bis((7R,9S,12S)-N-[1-[[2-(benzylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide);2-[[3-[[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carbonyl]amino]-2-oxohexanoyl]amino]acetic acid
CID 161342758
tert-butyl (2S)-2-[[2-[[3-[[(7R,9S,12S)-12-cyclohexyl-18-methoxy-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate
CID 59907070

Frequently Asked Questions

What is the IUPAC name of (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide?
The IUPAC name of (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide (CID 159363691) is (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide.
What is the SMILES notation for (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide?
The canonical SMILES for (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide is C=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC=C.C=CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O.C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.C=CCNC(=O)C(=O)C(CCCC)NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.CCCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2)C(=O)C(N)=O.
What is the InChIKey of (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide?
The InChIKey is LIVWWGQTYZMPMX-LDFVJOTBSA-N. The full InChI is InChI=1S/C45H62N6O9.C36H52N4O7.C36H50N4O7.C35H50N4O7.C33H48N4O7.C33H46N4O7/c1-6-7-21-34(40(54)42(56)46-27-37(53)49-38(43(57)50(4)5)30-16-10-8-11-17-30)47-41(55)35-26-33-28-51(35)44(58)39(31-18-12-9-13-19-31)48-36(52)25-29-15-14-20-32(24-29)59-23-22-45(2,3)60-33;2*1-5-7-16-28(32(42)34(44)37-18-6-2)38-33(43)29-22-27-23-40(29)35(45)31(25-13-9-8-10-14-25)39-30(41)21-24-12-11-15-26(20-24)46-19-17-36(3,4)47-27;1-5-11-27(31(41)33(43)36-17-6-2)37-32(42)28-21-26-22-39(28)34(44)30(24-13-8-7-9-14-24)38-29(40)20-23-12-10-15-25(19-23)45-18-16-35(3,4)46-26;2*1-4-5-14-25(29(39)30(34)40)35-31(41)26-19-24-20-37(26)32(42)28(22-11-7-6-8-12-22)36-27(38)18-21-10-9-13-23(17-21)43-16-15-33(2,3)44-24/h8,10-11,14-17,20,24,31,33-35,38-39H,6-7,9,12-13,18-19,21-23,25-28H2,1-5H3,(H,46,56)(H,47,55)(H,48,52)(H,49,53);6,11-12,15,20,25,27-29,31H,2,5,7-10,13-14,16-19,21-23H2,1,3-4H3,(H,37,44)(H,38,43)(H,39,41);5-6,11-12,15,20,25,27-29,31H,1-2,7-10,13-14,16-19,21-23H2,3-4H3,(H,37,44)(H,38,43)(H,39,41);6,10,12,15,19,24,26-28,30H,2,5,7-9,11,13-14,16-18,20-22H2,1,3-4H3,(H,36,43)(H,37,42)(H,38,40);9-10,13,17,22,24-26,28H,4-8,11-12,14-16,18-20H2,1-3H3,(H2,34,40)(H,35,41)(H,36,38);4,9-10,13,17,22,24-26,28H,1,5-8,11-12,14-16,18-20H2,2-3H3,(H2,34,40)(H,35,41)(H,36,38)/t33-,34?,35+,38+,39+;2*27-,28?,29+,31+;26-,27?,28+,30+;2*24-,25?,26+,28+/m111111/s1.
What are the key properties of (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide?
(7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide has a molecular weight of 3997.00 g/mol, XLogP of 17.61, 58 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S,12S)-N-(1-amino-1,2-dioxoheptan-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-N-(1-amino-1,2-dioxohept-6-en-3-yl)-12-cyclohexyl-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide;(7R,9S,12S)-12-cyclohexyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(19),16(20),17-triene-9-carboxamide is sourced from PubChem (CID 159363691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).