(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone

C126H151N17O18 — CID 159601915

IUPAC(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone
SMILESCC(C)(C)Oc1ccc(C[C@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N2)cc1.O=C1C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C33H42N4O5.C33H40N4O4.C31H35N5O4.C29H34N4O5/c1-33(2,3)42-25-15-13-23(14-16-25)19-24-21-29(38)35-26(20-22-9-5-4-6-10-22)31(40)37-18-8-12-28(37)32(41)36-17-7-11-27(36)30(39)34-24;38-30-21-25(18-22-10-3-1-4-11-22)34-31(39)28-16-9-17-36(28)33(41)29-20-24-14-7-8-15-27(24)37(29)32(40)26(35-30)19-23-12-5-2-6-13-23;37-28-18-22(17-21-19-32-24-11-5-4-10-23(21)24)33-29(38)26-12-6-14-35(26)31(40)27-13-7-15-36(27)30(39)25(34-28)16-20-8-2-1-3-9-20;34-22-12-10-20(11-13-22)16-21-18-26(35)31-23(17-19-6-2-1-3-7-19)28(37)33-15-5-9-25(33)29(38)32-14-4-8-24(32)27(36)30-21/h4-6,9-10,13-16,24,26-28H,7-8,11-12,17-21H2,1-3H3,(H,34,39)(H,35,38);1-6,10-13,24-29H,7-9,14-21H2,(H,34,39)(H,35,38);1-5,8-11,19,22,25-27,32H,6-7,12-18H2,(H,33,38)(H,34,37);1-3,6-7,10-13,21,23-25,34H,4-5,8-9,14-18H2,(H,30,36)(H,31,35)/t24-,26-,27-,28-;24-,25-,26-,27-,28-,29-;22-,25-,26-,27-;21-,23-,24-,25-/m0000/s1
InChIKeyMLOVOCONMIIHDK-YUCVKNIASA-N
MW2191.69 g/mol
LogP9.84
Rot. Bonds17

About (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone

(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone (PubChem CID 159601915) has the molecular formula C126H151N17O18 and a molecular weight of 2191.69 g/mol. Its IUPAC name is (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone.

Molecular Properties

Compound Name(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone
PubChem CID159601915
Molecular FormulaC126H151N17O18
Molecular Weight2191.69 g/mol
Exact Mass2190.14
IUPAC Name(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone
SMILESCC(C)(C)Oc1ccc(C[C@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N2)cc1.O=C1C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C33H42N4O5.C33H40N4O4.C31H35N5O4.C29H34N4O5/c1-33(2,3)42-25-15-13-23(14-16-25)19-24-21-29(38)35-26(20-22-9-5-4-6-10-22)31(40)37-18-8-12-28(37)32(41)36-17-7-11-27(36)30(39)34-24;38-30-21-25(18-22-10-3-1-4-11-22)34-31(39)28-16-9-17-36(28)33(41)29-20-24-14-7-8-15-27(24)37(29)32(40)26(35-30)19-23-12-5-2-6-13-23;37-28-18-22(17-21-19-32-24-11-5-4-10-23(21)24)33-29(38)26-12-6-14-35(26)31(40)27-13-7-15-36(27)30(39)25(34-28)16-20-8-2-1-3-9-20;34-22-12-10-20(11-13-22)16-21-18-26(35)31-23(17-19-6-2-1-3-7-19)28(37)33-15-5-9-25(33)29(38)32-14-4-8-24(32)27(36)30-21/h4-6,9-10,13-16,24,26-28H,7-8,11-12,17-21H2,1-3H3,(H,34,39)(H,35,38);1-6,10-13,24-29H,7-9,14-21H2,(H,34,39)(H,35,38);1-5,8-11,19,22,25-27,32H,6-7,12-18H2,(H,33,38)(H,34,37);1-3,6-7,10-13,21,23-25,34H,4-5,8-9,14-18H2,(H,30,36)(H,31,35)/t24-,26-,27-,28-;24-,25-,26-,27-,28-,29-;22-,25-,26-,27-;21-,23-,24-,25-/m0000/s1
InChIKeyMLOVOCONMIIHDK-YUCVKNIASA-N
XLogP9.84
TPSA440.53 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002191.69
LogP ≤ 59.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone 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

(3S,9S,16S)-13-benzyl-9-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone
CID 53390607
(3S,9R,12S,15S)-9-benzyl-3-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
CID 11262282
9-benzyl-6-(1H-indol-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 75051676
(3S,9S,15S,21S)-3-(1H-indol-3-ylmethyl)-9-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
CID 10350241
(3S,9S,12S,15S,18R,21R)-9,15-dibenzyl-18-(1H-indol-3-ylmethyl)-12-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,7,10,13,16,19-hexazatricyclo[19.3.0.03,7]tetracosane-2,8,11,14,17,20-hexone
CID 10509699
(3R,9S,12S,18S,21R,23R,28R)-9-(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-12-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-2,8,11,14,17,20-hexone
CID 53233291
(3R,6S,9R,12R)-3,9-dibenzyl-5-hydroxy-6-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,8,11-trione
CID 139382824
(3S,6S,9S,12R,15S,18S)-3,15-dibenzyl-12-(1H-indol-3-ylmethyl)-6-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-9-(2-phenylethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
CID 10843390
(3R,9S,12S,18S,21S,23S,28S)-9-(1-aminoethyl)-18-(1H-indol-3-ylmethyl)-12-[(4-methoxyphenyl)methyl]spiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-2,8,11,14,17,20-hexone
CID 53244869
(3S,6S,9S,12S,18S)-6-(4-aminobutyl)-3,12-bis[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
CID 46225602
(3R,9S,12S,18S,21R,23R,28R)-9-(2-aminoethyl)-12,18-bis(1H-indol-3-ylmethyl)-15-(quinolin-2-ylmethyl)-1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-2,8,11,14,17,20-hexone
CID 53233399
(3S,6S,9S,20S,23S,26S)-3,20-bis[(4-hydroxyphenyl)methyl]-6,23-bis(1H-indol-3-ylmethyl)-1,4,7,18,21,24-hexazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-11,13,15,28,30,32-hexaene-2,5,8,19,22,25-hexone
CID 101353219

Frequently Asked Questions

What is the IUPAC name of (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone?
The IUPAC name of (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone (CID 159601915) is (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone.
What is the SMILES notation for (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone?
The canonical SMILES for (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone is CC(C)(C)Oc1ccc(C[C@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N2)cc1.O=C1C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1.O=C1C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone?
The InChIKey is MLOVOCONMIIHDK-YUCVKNIASA-N. The full InChI is InChI=1S/C33H42N4O5.C33H40N4O4.C31H35N5O4.C29H34N4O5/c1-33(2,3)42-25-15-13-23(14-16-25)19-24-21-29(38)35-26(20-22-9-5-4-6-10-22)31(40)37-18-8-12-28(37)32(41)36-17-7-11-27(36)30(39)34-24;38-30-21-25(18-22-10-3-1-4-11-22)34-31(39)28-16-9-17-36(28)33(41)29-20-24-14-7-8-15-27(24)37(29)32(40)26(35-30)19-23-12-5-2-6-13-23;37-28-18-22(17-21-19-32-24-11-5-4-10-23(21)24)33-29(38)26-12-6-14-35(26)31(40)27-13-7-15-36(27)30(39)25(34-28)16-20-8-2-1-3-9-20;34-22-12-10-20(11-13-22)16-21-18-26(35)31-23(17-19-6-2-1-3-7-19)28(37)33-15-5-9-25(33)29(38)32-14-4-8-24(32)27(36)30-21/h4-6,9-10,13-16,24,26-28H,7-8,11-12,17-21H2,1-3H3,(H,34,39)(H,35,38);1-6,10-13,24-29H,7-9,14-21H2,(H,34,39)(H,35,38);1-5,8-11,19,22,25-27,32H,6-7,12-18H2,(H,33,38)(H,34,37);1-3,6-7,10-13,21,23-25,34H,4-5,8-9,14-18H2,(H,30,36)(H,31,35)/t24-,26-,27-,28-;24-,25-,26-,27-,28-,29-;22-,25-,26-,27-;21-,23-,24-,25-/m0000/s1.
What are the key properties of (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone?
(3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone has a molecular weight of 2191.69 g/mol, XLogP of 9.84, 17 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9S,13S,16S)-9-benzyl-13-[(4-hydroxyphenyl)methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-(1H-indol-3-ylmethyl)-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(3S,9S,13S,16S)-9-benzyl-13-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,7,10,14-tetrazatricyclo[14.3.0.03,7]nonadecane-2,8,11,15-tetrone;(1S,7S,10S,14S,17S,22S)-10,14-dibenzyl-3,9,13,16-tetrazatetracyclo[14.7.0.03,7.017,22]tricosane-2,8,12,15-tetrone is sourced from PubChem (CID 159601915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).