(2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid

C173H250B3N15O26 — CID 160543577

About (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid

(2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid (PubChem CID 160543577) has the molecular formula C173H250B3N15O26 and a molecular weight of 2988.42 g/mol. Its IUPAC name is (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid.

Molecular Properties

• Compound Name: (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid
• PubChem CID: 160543577
• Molecular Formula: C173H250B3N15O26
• Molecular Weight: 2988.42 g/mol
• Exact Mass: 2986.90
• IUPAC Name: (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid
• SMILES: CCCCCCCCCCCCCc1ccc(C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)C[C@@H](C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1.CCCCCCCCc1ccc(C(=O)C[C@@H](CCCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCB(C)O)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1.CCCCCCCCc1ccc(C(=O)C[C@@H](CCCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCB3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1
• InChI: InChI=1S/C64H94BN5O9.C59H84BN5O9.C50H72BN5O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-44-20-23-46(24-21-44)53(71)39-48(28-29-66)62(75)70(7)60-47-25-27-57(77-33-31-68)51(38-47)50-36-45(22-26-56(50)76-32-30-67)37-52(69-61(74)42(2)34-55(60)73)54(72)35-43(3)65-78-59-41-49-40-58(63(49,4)5)64(59,6)79-65;1-7-8-9-10-11-12-14-39-16-19-41(20-17-39)49(67)35-43(15-13-26-61)57(70)65(6)55-42-21-23-52(72-30-28-63)46(34-42)45-32-40(18-22-51(45)71-29-27-62)33-47(64-56(69)38(2)31-50(55)68)48(66)24-25-60-73-54-37-44-36-53(58(44,3)4)59(54,5)74-60;1-5-6-7-8-9-10-12-35-14-17-37(18-15-35)44(58)33-39(13-11-24-52)50(61)56(4)48-38-19-21-47(64-28-26-54)41(32-38)40-30-36(16-20-46(40)63-27-25-53)31-42(43(57)22-23-51(3)62)55-49(60)34(2)29-45(48)59/h20-27,36,38,42-43,48-49,52,58-60H,8-19,28-35,37,39-41,66-68H2,1-7H3,(H,69,74);16-23,32,34,38,43-44,47,53-55H,7-15,24-31,33,35-37,61-63H2,1-6H3,(H,64,69);14-21,30,32,34,39,42,48,62H,5-13,22-29,31,33,52-54H2,1-4H3,(H,55,60)/t42-,43-,48-,49+,52+,58+,59-,60+,64+;38-,43-,44+,47+,53+,54-,55+,59+;34-,39-,42+,48+/m111/s1
• InChIKey: QXCSYOKYLITYGV-UKNGBJCSSA-N
• XLogP: 24.98
• TPSA: 648.57 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 79
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2988.42
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid?

The IUPAC name of (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid (CID 160543577) is (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid.

What is the SMILES notation for (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid?

The canonical SMILES for (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid is CCCCCCCCCCCCCc1ccc(C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)C[C@@H](C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1.CCCCCCCCc1ccc(C(=O)C[C@@H](CCCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCB(C)O)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1.CCCCCCCCc1ccc(C(=O)C[C@@H](CCCN)C(=O)N(C)[C@@H]2C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)CCB3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)Cc3ccc(OCCN)c(c3)-c3cc2ccc3OCCN)cc1.

What is the InChIKey of (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid?

The InChIKey is QXCSYOKYLITYGV-UKNGBJCSSA-N. The full InChI is InChI=1S/C64H94BN5O9.C59H84BN5O9.C50H72BN5O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-44-20-23-46(24-21-44)53(71)39-48(28-29-66)62(75)70(7)60-47-25-27-57(77-33-31-68)51(38-47)50-36-45(22-26-56(50)76-32-30-67)37-52(69-61(74)42(2)34-55(60)73)54(72)35-43(3)65-78-59-41-49-40-58(63(49,4)5)64(59,6)79-65;1-7-8-9-10-11-12-14-39-16-19-41(20-17-39)49(67)35-43(15-13-26-61)57(70)65(6)55-42-21-23-52(72-30-28-63)46(34-42)45-32-40(18-22-51(45)71-29-27-62)33-47(64-56(69)38(2)31-50(55)68)48(66)24-25-60-73-54-37-44-36-53(58(44,3)4)59(54,5)74-60;1-5-6-7-8-9-10-12-35-14-17-37(18-15-35)44(58)33-39(13-11-24-52)50(61)56(4)48-38-19-21-47(64-28-26-54)41(32-38)40-30-36(16-20-46(40)63-27-25-53)31-42(43(57)22-23-51(3)62)55-49(60)34(2)29-45(48)59/h20-27,36,38,42-43,48-49,52,58-60H,8-19,28-35,37,39-41,66-68H2,1-7H3,(H,69,74);16-23,32,34,38,43-44,47,53-55H,7-15,24-31,33,35-37,61-63H2,1-6H3,(H,64,69);14-21,30,32,34,39,42,48,62H,5-13,22-29,31,33,52-54H2,1-4H3,(H,55,60)/t42-,43-,48-,49+,52+,58+,59-,60+,64+;38-,43-,44+,47+,53+,54-,55+,59+;34-,39-,42+,48+/m111/s1.

What are the key properties of (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid?

(2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid has a molecular weight of 2988.42 g/mol, XLogP of 24.98, 79 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-amino-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-2-[2-(4-octylphenyl)-2-oxoethyl]pentanamide;(2R)-2-(2-aminoethyl)-N-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-11-methyl-10,13-dioxo-8-[(3R)-3-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butanoyl]-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-14-yl]-N-methyl-4-oxo-4-(4-tridecylphenyl)butanamide;[3-[(8S,11R,14S)-3,18-bis(2-aminoethoxy)-14-[[(2R)-5-amino-2-[2-(4-octylphenyl)-2-oxoethyl]pentanoyl]-methylamino]-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaen-8-yl]-3-oxopropyl]-methylborinic acid is sourced from PubChem (CID 160543577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).