(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide

C149H175BrCl3N13O25 — CID 159404436

About (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide

(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide (PubChem CID 159404436) has the molecular formula C149H175BrCl3N13O25 and a molecular weight of 2734.37 g/mol. Its IUPAC name is (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide.

Molecular Properties

• Compound Name: (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide
• PubChem CID: 159404436
• Molecular Formula: C149H175BrCl3N13O25
• Molecular Weight: 2734.37 g/mol
• Exact Mass: 2730.11
• IUPAC Name: (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide
• SMILES: CC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2O)[C@H](N(C)C(=O)[C@H](CCCCN)CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2OCCN)[C@H](N(C)C(=O)[C@H](CCCCN)CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)C[C@@H](C)C(=O)N1.CC(C)(C)OC(=O)NCCBr.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(C)=O)Cc2ccc(C)c(c2)-c2cc1ccc2O
• InChI: InChI=1S/C48H56ClN5O8.C48H54ClN3O7.C46H51ClN4O8.C7H14BrNO2/c1-28-23-43(58)45(54(4)48(61)36(7-5-6-20-50)27-42(57)34-11-9-32(10-12-34)33-13-16-37(49)17-14-33)35-15-19-44(62-22-21-51)39(26-35)38-24-31(8-18-41(38)56)25-40(53-46(28)59)47(60)52-29(2)30(3)55;1-7-8-9-10-37(27-43(55)35-15-13-33(14-16-35)34-17-20-38(49)21-18-34)48(59)52(6)45-36-19-22-42(54)40(26-36)39-24-32(12-11-28(39)2)25-41(47(58)50-30(4)31(5)53)51-46(57)29(3)23-44(45)56;1-26-21-42(56)43(51(4)46(59)34(7-5-6-20-48)25-41(55)32-11-9-30(10-12-32)31-13-16-35(47)17-14-31)33-15-19-40(54)37(24-33)36-22-29(8-18-39(36)53)23-38(50-44(26)57)45(58)49-27(2)28(3)52;1-7(2,3)11-6(10)9-5-4-8/h8-19,24,26,28-29,36,40,45,56H,5-7,20-23,25,27,50-51H2,1-4H3,(H,52,60)(H,53,59);11-22,24,26,29-30,37,41,45,54H,7-10,23,25,27H2,1-6H3,(H,50,58)(H,51,57);8-19,22,24,26-27,34,38,43,53-54H,5-7,20-21,23,25,48H2,1-4H3,(H,49,58)(H,50,57);4-5H2,1-3H3,(H,9,10)/t28-,29+,36-,40+,45+;29-,30+,37-,41+,45+;26-,27+,34-,38+,43+;/m111./s1
• InChIKey: LNTRNDPZLDICJH-BMNAHXLZSA-N
• XLogP: 22.59
• TPSA: 595.70 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.37
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide?

The IUPAC name of (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide (CID 159404436) is (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide.

What is the SMILES notation for (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide?

The canonical SMILES for (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide is CC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2O)[C@H](N(C)C(=O)[C@H](CCCCN)CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)C[C@@H](C)C(=O)N1.CC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccc(O)c(c2)-c2cc(ccc2OCCN)[C@H](N(C)C(=O)[C@H](CCCCN)CC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)C[C@@H](C)C(=O)N1.CC(C)(C)OC(=O)NCCBr.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(C)=O)Cc2ccc(C)c(c2)-c2cc1ccc2O.

What is the InChIKey of (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide?

The InChIKey is LNTRNDPZLDICJH-BMNAHXLZSA-N. The full InChI is InChI=1S/C48H56ClN5O8.C48H54ClN3O7.C46H51ClN4O8.C7H14BrNO2/c1-28-23-43(58)45(54(4)48(61)36(7-5-6-20-50)27-42(57)34-11-9-32(10-12-34)33-13-16-37(49)17-14-33)35-15-19-44(62-22-21-51)39(26-35)38-24-31(8-18-41(38)56)25-40(53-46(28)59)47(60)52-29(2)30(3)55;1-7-8-9-10-37(27-43(55)35-15-13-33(14-16-35)34-17-20-38(49)21-18-34)48(59)52(6)45-36-19-22-42(54)40(26-36)39-24-32(12-11-28(39)2)25-41(47(58)50-30(4)31(5)53)51-46(57)29(3)23-44(45)56;1-26-21-42(56)43(51(4)46(59)34(7-5-6-20-48)25-41(55)32-11-9-30(10-12-32)31-13-16-35(47)17-14-31)33-15-19-40(54)37(24-33)36-22-29(8-18-39(36)53)23-38(50-44(26)57)45(58)49-27(2)28(3)52;1-7(2,3)11-6(10)9-5-4-8/h8-19,24,26,28-29,36,40,45,56H,5-7,20-23,25,27,50-51H2,1-4H3,(H,52,60)(H,53,59);11-22,24,26,29-30,37,41,45,54H,7-10,23,25,27H2,1-6H3,(H,50,58)(H,51,57);8-19,22,24,26-27,34,38,43,53-54H,5-7,20-21,23,25,48H2,1-4H3,(H,49,58)(H,50,57);4-5H2,1-3H3,(H,9,10)/t28-,29+,36-,40+,45+;29-,30+,37-,41+,45+;26-,27+,34-,38+,43+;/m111./s1.

What are the key properties of (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide?

(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide has a molecular weight of 2734.37 g/mol, XLogP of 22.59, 44 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-18-(2-aminoethoxy)-3-hydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;(8S,11R,14S)-14-[[(2R)-6-amino-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]hexanoyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide;tert-butyl N-(2-bromoethyl)carbamate;(8S,11R,14S)-14-[[(2R)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]heptanoyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-N-[(2S)-3-oxobutan-2-yl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide is sourced from PubChem (CID 159404436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).