(2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid

C153H228N42O46 — CID 167699412

About (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid

(2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid (PubChem CID 167699412) has the molecular formula C153H228N42O46 and a molecular weight of 3391.75 g/mol. Its IUPAC name is (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid.

Molecular Properties

• Compound Name: (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid
• PubChem CID: 167699412
• Molecular Formula: C153H228N42O46
• Molecular Weight: 3391.75 g/mol
• Exact Mass: 3389.68
• IUPAC Name: (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid
• SMILES: CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)CCCOCCOCCOCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O.CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)C[C@@H](CCCCN)C(=O)NCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O.CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)C[C@H](C(=O)O)C(=O)NCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
• InChI: InChI=1S/C52H79N15O14.C52H79N13O16.C49H70N14O16/c1-31(68)65(79)24-8-12-35(27-44(73)41(15-10-26-67(81)33(3)70)60-50(76)40(54)14-9-25-66(80)32(2)69)43(72)28-36(11-5-6-22-53)48(74)57-23-7-13-39(71)20-21-42(51(77)78)61-49(75)34-16-18-38(19-17-34)64(4)30-37-29-58-47-45(59-37)46(55)62-52(56)63-47;1-33(66)63(76)21-5-10-37(30-45(71)42(13-7-23-65(78)35(3)68)58-50(73)41(53)12-6-22-64(77)34(2)67)44(70)14-9-25-80-27-29-81-28-26-79-24-8-11-40(69)19-20-43(51(74)75)59-49(72)36-15-17-39(18-16-36)62(4)32-38-31-56-48-46(57-38)47(54)60-52(55)61-48;1-27(64)61(77)20-6-9-31(23-40(69)37(12-8-22-63(79)29(3)66)56-46(72)36(50)11-7-21-62(78)28(2)65)39(68)24-35(47(73)74)45(71)53-19-5-10-34(67)17-18-38(48(75)76)57-44(70)30-13-15-33(16-14-30)60(4)26-32-25-54-43-41(55-32)42(51)58-49(52)59-43/h16-19,29,35-36,40-42,79-81H,5-15,20-28,30,53-54H2,1-4H3,(H,57,74)(H,60,76)(H,61,75)(H,77,78)(H4,55,56,58,62,63);15-18,31,37,41-43,76-78H,5-14,19-30,32,53H2,1-4H3,(H,58,73)(H,59,72)(H,74,75)(H4,54,55,56,60,61);13-16,25,31,35-38,77-79H,5-12,17-24,26,50H2,1-4H3,(H,53,71)(H,56,72)(H,57,70)(H,73,74)(H,75,76)(H4,51,52,54,58,59)/t35-,36-,40+,41+,42-;37-,41+,42+,43-;31-,35+,36+,37+,38-/m111/s1
• InChIKey: YDNNVXJAHXANSA-PMMKKGGVSA-N
• XLogP: 1.92
• TPSA: 1352.78 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 67
• Rotatable Bonds: 114
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3391.75
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid?

The IUPAC name of (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid (CID 167699412) is (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid.

What is the SMILES notation for (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid?

The canonical SMILES for (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid is CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)CCCOCCOCCOCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O.CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)C[C@@H](CCCCN)C(=O)NCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O.CC(=O)N(O)CCC[C@H](CC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@@H](N)CCCN(O)C(C)=O)C(=O)C[C@H](C(=O)O)C(=O)NCCCC(=O)CC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O.

What is the InChIKey of (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid?

The InChIKey is YDNNVXJAHXANSA-PMMKKGGVSA-N. The full InChI is InChI=1S/C52H79N15O14.C52H79N13O16.C49H70N14O16/c1-31(68)65(79)24-8-12-35(27-44(73)41(15-10-26-67(81)33(3)70)60-50(76)40(54)14-9-25-66(80)32(2)69)43(72)28-36(11-5-6-22-53)48(74)57-23-7-13-39(71)20-21-42(51(77)78)61-49(75)34-16-18-38(19-17-34)64(4)30-37-29-58-47-45(59-37)46(55)62-52(56)63-47;1-33(66)63(76)21-5-10-37(30-45(71)42(13-7-23-65(78)35(3)68)58-50(73)41(53)12-6-22-64(77)34(2)67)44(70)14-9-25-80-27-29-81-28-26-79-24-8-11-40(69)19-20-43(51(74)75)59-49(72)36-15-17-39(18-16-36)62(4)32-38-31-56-48-46(57-38)47(54)60-52(55)61-48;1-27(64)61(77)20-6-9-31(23-40(69)37(12-8-22-63(79)29(3)66)56-46(72)36(50)11-7-21-62(78)28(2)65)39(68)24-35(47(73)74)45(71)53-19-5-10-34(67)17-18-38(48(75)76)57-44(70)30-13-15-33(16-14-30)60(4)26-32-25-54-43-41(55-32)42(51)58-49(52)59-43/h16-19,29,35-36,40-42,79-81H,5-15,20-28,30,53-54H2,1-4H3,(H,57,74)(H,60,76)(H,61,75)(H,77,78)(H4,55,56,58,62,63);15-18,31,37,41-43,76-78H,5-14,19-30,32,53H2,1-4H3,(H,58,73)(H,59,72)(H,74,75)(H4,54,55,56,60,61);13-16,25,31,35-38,77-79H,5-12,17-24,26,50H2,1-4H3,(H,53,71)(H,56,72)(H,57,70)(H,73,74)(H,75,76)(H4,51,52,54,58,59)/t35-,36-,40+,41+,42-;37-,41+,42+,43-;31-,35+,36+,37+,38-/m111/s1.

What are the key properties of (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid?

(2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid has a molecular weight of 3391.75 g/mol, XLogP of 1.92, 114 rotatable bonds, 31 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-8-[[(2R,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-(4-aminobutyl)-4,7-dioxoundecanoyl]amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid;(2S,5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-2-[[(7R)-7-carboxy-7-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-oxoheptyl]carbamoyl]-4,7-dioxoundecanoic acid;(2R)-8-[2-[2-[(5R,8S)-11-[acetyl(hydroxy)amino]-8-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-5-[3-[acetyl(hydroxy)amino]propyl]-4,7-dioxoundecoxy]ethoxy]ethoxy]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxooctanoic acid is sourced from PubChem (CID 167699412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).