(3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide

C128H184N32O31S5 — CID 164975134

About (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide

(3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide (PubChem CID 164975134) has the molecular formula C128H184N32O31S5 and a molecular weight of 2827.41 g/mol. Its IUPAC name is (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide.

Molecular Properties

• Compound Name: (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide
• PubChem CID: 164975134
• Molecular Formula: C128H184N32O31S5
• Molecular Weight: 2827.41 g/mol
• Exact Mass: 2825.24
• IUPAC Name: (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide
• SMILES: C[C@@H]1C[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](CN)C(=O)N[C@@H](C(N)=O)CSCC(=O)N[C@@H](C(C)(C)C)C(=O)N2C1.Cc1ccsc1-c1ccc([C@@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CSC[C@H](C(N)=O)NC(=O)[C@@H](CN)NC(=O)[C@@H](C)NC2=O)cc1.Cc1ccsc1-c1ccc([C@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](CN)NC(=O)CNC2=O)cc1.Cc1ncsc1-c1ccc([C@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCNC(=O)[C@@H](CN)NC(=O)CNC2=O)cc1
• InChI: InChI=1S/C35H48N8O8S2.C34H46N8O8S.C33H46N8O8S.C26H44N8O7S/c1-17-10-11-53-27(17)20-8-6-19(7-9-20)26-33(50)38-18(2)30(47)39-22(13-36)31(48)40-23(29(37)46)15-52-16-25(45)41-28(35(3,4)5)34(51)43-14-21(44)12-24(43)32(49)42-26;1-17-10-11-51-27(17)20-8-6-19(7-9-20)26-32(49)37-14-24(44)39-22(13-35)30(47)38-18(2)29(46)36-15-25(45)40-28(34(3,4)5)33(50)42-16-21(43)12-23(42)31(48)41-26;1-18-27(50-17-37-18)20-7-5-19(6-8-20)26-31(47)36-15-25(44)38-22(14-34)29(45)35-10-12-49-11-9-24(43)39-28(33(2,3)4)32(48)41-16-21(42)13-23(41)30(46)40-26;1-13-7-16-22(39)33-26(5,6)24(41)29-9-17(35)30-14(8-27)21(38)31-15(20(28)37)11-42-12-18(36)32-19(25(2,3)4)23(40)34(16)10-13/h6-11,18,21-24,26,28,44H,12-16,36H2,1-5H3,(H2,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,45)(H,42,49);6-11,18,21-23,26,28,43H,12-16,35H2,1-5H3,(H,36,46)(H,37,49)(H,38,47)(H,39,44)(H,40,45)(H,41,48);5-8,17,21-23,26,28,42H,9-16,34H2,1-4H3,(H,35,45)(H,36,47)(H,38,44)(H,39,43)(H,40,46);13-16,19H,7-12,27H2,1-6H3,(H2,28,37)(H,29,41)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t18-,21-,22-,23-,24+,26+,28-;18-,21+,22+,23-,26+,28+;21-,22-,23+,26-,28-;13-,14-,15-,16+,19-/m1011/s1
• InChIKey: DRCAATRSRCECBE-UKHRTCFPSA-N
• XLogP: -6.60
• TPSA: 965.41 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 41
• Rotatable Bonds: 12
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.41
LogP ≤ 5	-6.60
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide?

The IUPAC name of (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide (CID 164975134) is (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide.

What is the SMILES notation for (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide?

The canonical SMILES for (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide is C[C@@H]1C[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](CN)C(=O)N[C@@H](C(N)=O)CSCC(=O)N[C@@H](C(C)(C)C)C(=O)N2C1.Cc1ccsc1-c1ccc([C@@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CSC[C@H](C(N)=O)NC(=O)[C@@H](CN)NC(=O)[C@@H](C)NC2=O)cc1.Cc1ccsc1-c1ccc([C@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](CN)NC(=O)CNC2=O)cc1.Cc1ncsc1-c1ccc([C@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCNC(=O)[C@@H](CN)NC(=O)CNC2=O)cc1.

What is the InChIKey of (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide?

The InChIKey is DRCAATRSRCECBE-UKHRTCFPSA-N. The full InChI is InChI=1S/C35H48N8O8S2.C34H46N8O8S.C33H46N8O8S.C26H44N8O7S/c1-17-10-11-53-27(17)20-8-6-19(7-9-20)26-33(50)38-18(2)30(47)39-22(13-36)31(48)40-23(29(37)46)15-52-16-25(45)41-28(35(3,4)5)34(51)43-14-21(44)12-24(43)32(49)42-26;1-17-10-11-51-27(17)20-8-6-19(7-9-20)26-32(49)37-14-24(44)39-22(13-35)30(47)38-18(2)29(46)36-15-25(45)40-28(34(3,4)5)33(50)42-16-21(43)12-23(42)31(48)41-26;1-18-27(50-17-37-18)20-7-5-19(6-8-20)26-31(47)36-15-25(44)38-22(14-34)29(45)35-10-12-49-11-9-24(43)39-28(33(2,3)4)32(48)41-16-21(42)13-23(41)30(46)40-26;1-13-7-16-22(39)33-26(5,6)24(41)29-9-17(35)30-14(8-27)21(38)31-15(20(28)37)11-42-12-18(36)32-19(25(2,3)4)23(40)34(16)10-13/h6-11,18,21-24,26,28,44H,12-16,36H2,1-5H3,(H2,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,45)(H,42,49);6-11,18,21-23,26,28,43H,12-16,35H2,1-5H3,(H,36,46)(H,37,49)(H,38,47)(H,39,44)(H,40,45)(H,41,48);5-8,17,21-23,26,28,42H,9-16,34H2,1-4H3,(H,35,45)(H,36,47)(H,38,44)(H,39,43)(H,40,46);13-16,19H,7-12,27H2,1-6H3,(H2,28,37)(H,29,41)(H,30,35)(H,31,38)(H,32,36)(H,33,39)/t18-,21-,22-,23-,24+,26+,28-;18-,21+,22+,23-,26+,28+;21-,22-,23+,26-,28-;13-,14-,15-,16+,19-/m1011/s1.

What are the key properties of (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide?

(3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide has a molecular weight of 2827.41 g/mol, XLogP of -6.60, 12 rotatable bonds, 30 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,9S,12R,18R,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-9-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone;(3S,9S,12R,15R,18S,21S,23R)-12-(aminomethyl)-3-tert-butyl-23-hydroxy-15-methyl-18-[4-(3-methylthiophen-2-yl)phenyl]-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide;(3S,13R,19R,22S,24R)-13-(aminomethyl)-3-tert-butyl-24-hydroxy-19-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-2,5,12,15,18,21-hexone;(3S,9S,12R,21S,23R)-12-(aminomethyl)-3-tert-butyl-18,18,23-trimethyl-2,5,11,14,17,20-hexaoxo-7-thia-1,4,10,13,16,19-hexazabicyclo[19.3.0]tetracosane-9-carboxamide is sourced from PubChem (CID 164975134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).