(4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid

C110H143N27O31 — CID 163191992

About (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid

(4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid (PubChem CID 163191992) has the molecular formula C110H143N27O31 and a molecular weight of 2339.51 g/mol. Its IUPAC name is (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid.

Molecular Properties

• Compound Name: (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid
• PubChem CID: 163191992
• Molecular Formula: C110H143N27O31
• Molecular Weight: 2339.51 g/mol
• Exact Mass: 2338.04
• IUPAC Name: (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid
• SMILES: [H]/N=C(\O)C[C@H](/N=C(\O)C(/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@@H]1CC/C(O)=N/[C@@H](CC(C)C)/C(O)=N\[C@@H](Cc2ccc(O)cc2)/C(O)=N/C/C(O)=N\[C@@H](C(C)C)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](CC(=O)O)/C(O)=N\1)[C@@H](C)CC)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/C(C(=O)O)[C@@H](C)O
• InChI: InChI=1S/C110H143N27O31/c1-8-55(6)91(136-96(154)71(33-35-87(145)146)122-95(153)70-32-34-85(143)121-72(37-53(2)3)97(155)125-73(39-58-24-28-63(139)29-25-58)93(151)119-51-86(144)135-90(54(4)5)107(165)124-69(23-16-36-116-110(113)114)94(152)131-79(44-83(111)141)102(160)133-81(46-88(147)148)104(162)123-70)108(166)134-80(45-84(112)142)103(161)128-76(41-60-48-117-67-21-14-12-19-65(60)67)100(158)130-78(43-62-50-115-52-120-62)101(159)126-74(38-57-17-10-9-11-18-57)99(157)132-82(47-89(149)150)105(163)127-75(40-59-26-30-64(140)31-27-59)98(156)129-77(106(164)137-92(56(7)138)109(167)168)42-61-49-118-68-22-15-13-20-66(61)68/h9-15,17-22,24-31,48-50,52-56,69-82,90-92,117-118,138-140H,8,16,23,32-47,51H2,1-7H3,(H2,111,141)(H2,112,142)(H,115,120)(H,119,151)(H,121,143)(H,122,153)(H,123,162)(H,124,165)(H,125,155)(H,126,159)(H,127,163)(H,128,161)(H,129,156)(H,130,158)(H,131,152)(H,132,157)(H,133,160)(H,134,166)(H,135,144)(H,136,154)(H,137,164)(H,145,146)(H,147,148)(H,149,150)(H,167,168)(H4,113,114,116)/t55-,56+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91?,92?/m0/s1
• InChIKey: UDBDQVQDKZANRU-GYZZVETDSA-N
• XLogP: 11.96
• TPSA: 1006.83 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 29
• Rotatable Bonds: 54
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.51
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	29

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'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid?

The IUPAC name of (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid (CID 163191992) is (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid.

What is the SMILES notation for (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid?

The canonical SMILES for (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid is [H]/N=C(\O)C[C@H](/N=C(\O)C(/N=C(\O)[C@H](CCC(=O)O)/N=C(\O)[C@@H]1CC/C(O)=N/[C@@H](CC(C)C)/C(O)=N\[C@@H](Cc2ccc(O)cc2)/C(O)=N/C/C(O)=N\[C@@H](C(C)C)/C(O)=N/[C@@H](CCCN/C(N)=N/[H])/C(O)=N/[C@@H](C/C(O)=N/[H])/C(O)=N/[C@@H](CC(=O)O)/C(O)=N\1)[C@@H](C)CC)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/[C@@H](Cc1cnc[nH]1)/C(O)=N/[C@@H](Cc1ccccc1)/C(O)=N/[C@@H](CC(=O)O)/C(O)=N/[C@@H](Cc1ccc(O)cc1)/C(O)=N/[C@@H](Cc1c[nH]c2ccccc12)/C(O)=N/C(C(=O)O)[C@@H](C)O.

What is the InChIKey of (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid?

The InChIKey is UDBDQVQDKZANRU-GYZZVETDSA-N. The full InChI is InChI=1S/C110H143N27O31/c1-8-55(6)91(136-96(154)71(33-35-87(145)146)122-95(153)70-32-34-85(143)121-72(37-53(2)3)97(155)125-73(39-58-24-28-63(139)29-25-58)93(151)119-51-86(144)135-90(54(4)5)107(165)124-69(23-16-36-116-110(113)114)94(152)131-79(44-83(111)141)102(160)133-81(46-88(147)148)104(162)123-70)108(166)134-80(45-84(112)142)103(161)128-76(41-60-48-117-67-21-14-12-19-65(60)67)100(158)130-78(43-62-50-115-52-120-62)101(159)126-74(38-57-17-10-9-11-18-57)99(157)132-82(47-89(149)150)105(163)127-75(40-59-26-30-64(140)31-27-59)98(156)129-77(106(164)137-92(56(7)138)109(167)168)42-61-49-118-68-22-15-13-20-66(61)68/h9-15,17-22,24-31,48-50,52-56,69-82,90-92,117-118,138-140H,8,16,23,32-47,51H2,1-7H3,(H2,111,141)(H2,112,142)(H,115,120)(H,119,151)(H,121,143)(H,122,153)(H,123,162)(H,124,165)(H,125,155)(H,126,159)(H,127,163)(H,128,161)(H,129,156)(H,130,158)(H,131,152)(H,132,157)(H,133,160)(H,134,166)(H,135,144)(H,136,154)(H,137,164)(H,145,146)(H,147,148)(H,149,150)(H,167,168)(H4,113,114,116)/t55-,56+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91?,92?/m0/s1.

What are the key properties of (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid?

(4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid has a molecular weight of 2339.51 g/mol, XLogP of 11.96, 54 rotatable bonds, 35 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[[(2S,5S,11S,14S,17S,20S,23S)-14-(3-carbamimidamidopropyl)-20-(carboxymethyl)-3,6,9,12,15,18,21,26-octahydroxy-17-(2-hydroxy-2-iminoethyl)-5-[(4-hydroxyphenyl)methyl]-2-(2-methylpropyl)-11-propan-2-yl-1,4,7,10,13,16,19,22-octazacyclohexacosa-3,6,9,12,15,18,21,26-octaen-23-yl]-hydroxymethylidene]amino]-5-[(3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-3-carboxy-1-[(2S)-1-[(2S)-1-[(2R)-1-carboxy-2-hydroxypropyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid is sourced from PubChem (CID 163191992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).