(2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid

C131H199N21O31S — CID 147058194

About (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid

(2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid (PubChem CID 147058194) has the molecular formula C131H199N21O31S and a molecular weight of 2596.22 g/mol. Its IUPAC name is (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid.

Molecular Properties

• Compound Name: (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
• PubChem CID: 147058194
• Molecular Formula: C131H199N21O31S
• Molecular Weight: 2596.22 g/mol
• Exact Mass: 2594.44
• IUPAC Name: (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@@H](CC(=O)[C@H](CCCN/C(N)=N/[H])N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CCOCCOCCNC(=O)CCSC1CC(=O)N(CCCCCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCCN(C)C(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](C)[C@@H]4[C@]5(C)CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](OC)C(=C2C)C3(C)C)[C@@H](C)c2ccccc2)C1=O)NC(C)=O)C(C)(C)C)C(=O)CC(Cc1ccc(O)cc1)C(=O)O
• InChI: InChI=1S/C131H199N21O31S/c1-77(2)65-91(115(165)142-74-106(160)137-54-59-148(16)126(175)183-110(79(5)85-37-25-21-26-38-85)123(174)182-99-73-131(176)81(7)112-129(14)76-181-101(129)72-102(177-18)130(112,15)113(163)111(178-19)109(80(99)6)128(131,12)13)146-116(166)92(68-83-35-23-20-24-36-83)144-107(161)75-141-103(157)44-27-22-30-56-152-108(162)71-100(121(152)171)184-64-50-105(159)138-55-61-180-63-62-179-60-49-104(158)136-51-29-28-39-90(143-82(8)153)118(168)150-57-33-42-95(150)117(167)147-93(66-78(3)4)119(169)151-58-34-43-96(151)120(170)149(17)94(41-32-53-140-125(134)135)98(156)70-88(127(9,10)11)114(164)145-89(40-31-52-139-124(132)133)97(155)69-86(122(172)173)67-84-45-47-87(154)48-46-84/h20-21,23-26,35-38,45-48,77-79,81,86,88-96,99-102,110-112,154,176H,22,27-34,39-44,49-76H2,1-19H3,(H,136,158)(H,137,160)(H,138,159)(H,141,157)(H,142,165)(H,143,153)(H,144,161)(H,145,164)(H,146,166)(H,147,167)(H,172,173)(H4,132,133,139)(H4,134,135,140)/t79-,81-,86?,88+,89-,90-,91-,92-,93-,94-,95-,96-,99-,100?,101+,102-,110+,111+,112+,129+,130+,131+/m0/s1
• InChIKey: BCQUHZHNMQJCGH-BOZXCOEOSA-N
• XLogP: 5.63
• TPSA: 744.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 33
• Rotatable Bonds: 74
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2596.22
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid?

The IUPAC name of (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid (CID 147058194) is (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid.

What is the SMILES notation for (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid?

The canonical SMILES for (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@@H](CC(=O)[C@H](CCCN/C(N)=N/[H])N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CCOCCOCCNC(=O)CCSC1CC(=O)N(CCCCCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCCN(C)C(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](C)[C@@H]4[C@]5(C)CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](OC)C(=C2C)C3(C)C)[C@@H](C)c2ccccc2)C1=O)NC(C)=O)C(C)(C)C)C(=O)CC(Cc1ccc(O)cc1)C(=O)O.

What is the InChIKey of (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid?

The InChIKey is BCQUHZHNMQJCGH-BOZXCOEOSA-N. The full InChI is InChI=1S/C131H199N21O31S/c1-77(2)65-91(115(165)142-74-106(160)137-54-59-148(16)126(175)183-110(79(5)85-37-25-21-26-38-85)123(174)182-99-73-131(176)81(7)112-129(14)76-181-101(129)72-102(177-18)130(112,15)113(163)111(178-19)109(80(99)6)128(131,12)13)146-116(166)92(68-83-35-23-20-24-36-83)144-107(161)75-141-103(157)44-27-22-30-56-152-108(162)71-100(121(152)171)184-64-50-105(159)138-55-61-180-63-62-179-60-49-104(158)136-51-29-28-39-90(143-82(8)153)118(168)150-57-33-42-95(150)117(167)147-93(66-78(3)4)119(169)151-58-34-43-96(151)120(170)149(17)94(41-32-53-140-125(134)135)98(156)70-88(127(9,10)11)114(164)145-89(40-31-52-139-124(132)133)97(155)69-86(122(172)173)67-84-45-47-87(154)48-46-84/h20-21,23-26,35-38,45-48,77-79,81,86,88-96,99-102,110-112,154,176H,22,27-34,39-44,49-76H2,1-19H3,(H,136,158)(H,137,160)(H,138,159)(H,141,157)(H,142,165)(H,143,153)(H,144,161)(H,145,164)(H,146,166)(H,147,167)(H,172,173)(H4,132,133,139)(H4,134,135,140)/t79-,81-,86?,88+,89-,90-,91-,92-,93-,94-,95-,96-,99-,100?,101+,102-,110+,111+,112+,129+,130+,131+/m0/s1.

What are the key properties of (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid?

(2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid has a molecular weight of 2596.22 g/mol, XLogP of 5.63, 74 rotatable bonds, 19 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[[(2S,5S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-[3-[2-[2-[3-[1-[6-[[2-[[(2S)-1-[[(2S)-1-[[2-[2-[[(2R,3S)-1-[[(1R,2S,3R,4R,7R,9S,10S,12R,15S)-1-hydroxy-9,12-dimethoxy-2,4,10,14,17,17-hexamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-1-oxo-3-phenylbutan-2-yl]oxycarbonyl-methylamino]ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoylamino]ethoxy]ethoxy]propanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-2-tert-butyl-8-carbamimidamido-4-oxooctanoyl]amino]-8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid is sourced from PubChem (CID 147058194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).