[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

C137H175N19O24 — CID 158243819

About [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (PubChem CID 158243819) has the molecular formula C137H175N19O24 and a molecular weight of 2472.02 g/mol. Its IUPAC name is [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

Molecular Properties

• Compound Name: [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• PubChem CID: 158243819
• Molecular Formula: C137H175N19O24
• Molecular Weight: 2472.02 g/mol
• Exact Mass: 2470.31
• IUPAC Name: [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• SMILES: CCCCc1nc2c(CC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(=O)OC(C)(C)C)cc1.CCCCc1nc2c(CC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](N)C(C)C)cc3)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(=O)OC(C)(C)C)cc1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C69H81N7O9.C53H70N8O7.C15H24N4O8/c1-7-8-23-61-74-64-59(72-57-21-14-13-20-54(57)65(64)76(61)41-48-30-28-47(29-31-48)40-75(36-34-45-24-25-45)68(82)85-69(4,5)6)39-63(79)83-42-49-32-26-46(27-33-49)37-60(77)58(22-15-35-71-67(70)81)73-66(80)55(44(2)3)38-62(78)84-43-56-52-18-11-9-16-50(52)51-17-10-12-19-53(51)56;1-7-8-15-45-59-48-43(30-46(63)67-33-39-24-18-36(19-25-39)29-44(62)42(14-11-27-56-51(55)65)58-50(64)47(54)34(2)3)57-41-13-10-9-12-40(41)49(48)61(45)32-38-22-20-37(21-23-38)31-60(28-26-35-16-17-35)52(66)68-53(4,5)6;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h9-14,16-21,26-33,44-45,55-56,58H,7-8,15,22-25,34-43H2,1-6H3,(H,73,80)(H3,70,71,81);9-10,12-13,18-25,34-35,42,47H,7-8,11,14-17,26-33,54H2,1-6H3,(H,58,64)(H3,55,56,65);1-12H2/t55-,58-;42-,47-;/m11./s1
• InChIKey: GFWLCCICAHKILJ-MJURIPKWSA-N
• XLogP: 20.05
• TPSA: 577.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 68
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.02
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The IUPAC name of [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (CID 158243819) is [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

What is the SMILES notation for [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The canonical SMILES for [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is CCCCc1nc2c(CC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(=O)OC(C)(C)C)cc1.CCCCc1nc2c(CC(=O)OCc3ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](N)C(C)C)cc3)nc3ccccc3c2n1Cc1ccc(CN(CCC2CC2)C(=O)OC(C)(C)C)cc1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The InChIKey is GFWLCCICAHKILJ-MJURIPKWSA-N. The full InChI is InChI=1S/C69H81N7O9.C53H70N8O7.C15H24N4O8/c1-7-8-23-61-74-64-59(72-57-21-14-13-20-54(57)65(64)76(61)41-48-30-28-47(29-31-48)40-75(36-34-45-24-25-45)68(82)85-69(4,5)6)39-63(79)83-42-49-32-26-46(27-33-49)37-60(77)58(22-15-35-71-67(70)81)73-66(80)55(44(2)3)38-62(78)84-43-56-52-18-11-9-16-50(52)51-17-10-12-19-53(51)56;1-7-8-15-45-59-48-43(30-46(63)67-33-39-24-18-36(19-25-39)29-44(62)42(14-11-27-56-51(55)65)58-50(64)47(54)34(2)3)57-41-13-10-9-12-40(41)49(48)61(45)32-38-22-20-37(21-23-38)31-60(28-26-35-16-17-35)52(66)68-53(4,5)6;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h9-14,16-21,26-33,44-45,55-56,58H,7-8,15,22-25,34-43H2,1-6H3,(H,73,80)(H3,70,71,81);9-10,12-13,18-25,34-35,42,47H,7-8,11,14-17,26-33,54H2,1-6H3,(H,58,64)(H3,55,56,65);1-12H2/t55-,58-;42-,47-;/m11./s1.

What are the key properties of [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate has a molecular weight of 2472.02 g/mol, XLogP of 20.05, 68 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]methyl 2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate;9H-fluoren-9-ylmethyl (3R)-3-[[(3R)-1-[4-[[2-[2-butyl-1-[[4-[[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]acetyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is sourced from PubChem (CID 158243819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).