7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

C185H252F2N22O46 — CID 158769684

About 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate (PubChem CID 158769684) has the molecular formula C185H252F2N22O46 and a molecular weight of 3558.15 g/mol. Its IUPAC name is 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate.

Molecular Properties

• Compound Name: 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
• PubChem CID: 158769684
• Molecular Formula: C185H252F2N22O46
• Molecular Weight: 3558.15 g/mol
• Exact Mass: 3555.80
• IUPAC Name: 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
• SMILES: CCCC(=O)C1(C(=O)C[C@@H](CCCCN)C(=O)Nc2ccc(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5CC)CC3)cc2)CCC1.CCCC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5CC)CC3)cc2)CCC1.CCNC(=O)C1(C(=O)CC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(CO)cc2)CCC1.CCNC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)CCC1.CCNC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)CCC1.CCNC(=O)C1(C(=O)ON2C(=O)CCC2=O)CCC1.Nc1ccc(CO)cc1
• InChI: InChI=1S/C45H58FN5O10.C40H50FN5O8.C34H44N4O10.C27H41N3O6.C20H34N2O6.C12H16N2O5.C7H9NO/c1-6-11-37(52)45(17-10-18-45)38(53)24-30(12-8-9-19-47-42(58)61-44(3,4)5)40(55)48-31-15-13-29(14-16-31)28-60-43(59)51-22-20-50(21-23-51)36-26-35-32(25-34(36)46)39(54)33(41(56)57)27-49(35)7-2;1-3-8-34(47)40(14-7-15-40)35(48)21-27(9-5-6-16-42)37(50)43-28-12-10-26(11-13-28)25-54-39(53)46-19-17-45(18-20-46)33-23-32-29(22-31(33)41)36(49)30(38(51)52)24-44(32)4-2;1-5-35-30(41)34(18-8-19-34)28(39)21-24(9-6-7-20-36-31(42)48-33(2,3)4)29(40)37-25-12-10-23(11-13-25)22-46-32(43)47-27-16-14-26(15-17-27)38(44)45;1-5-28-24(34)27(14-8-15-27)22(32)17-20(9-6-7-16-29-25(35)36-26(2,3)4)23(33)30-21-12-10-19(18-31)11-13-21;1-5-21-17(26)20(10-8-11-20)15(23)13-14(16(24)25)9-6-7-12-22-18(27)28-19(2,3)4;1-2-13-10(17)12(6-3-7-12)11(18)19-14-8(15)4-5-9(14)16;8-7-3-1-6(5-9)2-4-7/h13-16,25-27,30H,6-12,17-24,28H2,1-5H3,(H,47,58)(H,48,55)(H,56,57);10-13,22-24,27H,3-9,14-21,25,42H2,1-2H3,(H,43,50)(H,51,52);10-17,24H,5-9,18-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,40);10-13,20,31H,5-9,14-18H2,1-4H3,(H,28,34)(H,29,35)(H,30,33);14H,5-13H2,1-4H3,(H,21,26)(H,22,27)(H,24,25);2-7H2,1H3,(H,13,17);1-4,9H,5,8H2/t30-;27-;24-;;14-;;/m111.1../s1
• InChIKey: IPSALAUNMTWGHH-GJQYWOLGSA-N
• XLogP: 25.39
• TPSA: 961.92 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 80
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3558.15
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate?

The IUPAC name of 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate (CID 158769684) is 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate.

What is the SMILES notation for 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate?

The canonical SMILES for 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate is CCCC(=O)C1(C(=O)C[C@@H](CCCCN)C(=O)Nc2ccc(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5CC)CC3)cc2)CCC1.CCCC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5CC)CC3)cc2)CCC1.CCNC(=O)C1(C(=O)CC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(CO)cc2)CCC1.CCNC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)CCC1.CCNC(=O)C1(C(=O)C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)CCC1.CCNC(=O)C1(C(=O)ON2C(=O)CCC2=O)CCC1.Nc1ccc(CO)cc1.

What is the InChIKey of 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate?

The InChIKey is IPSALAUNMTWGHH-GJQYWOLGSA-N. The full InChI is InChI=1S/C45H58FN5O10.C40H50FN5O8.C34H44N4O10.C27H41N3O6.C20H34N2O6.C12H16N2O5.C7H9NO/c1-6-11-37(52)45(17-10-18-45)38(53)24-30(12-8-9-19-47-42(58)61-44(3,4)5)40(55)48-31-15-13-29(14-16-31)28-60-43(59)51-22-20-50(21-23-51)36-26-35-32(25-34(36)46)39(54)33(41(56)57)27-49(35)7-2;1-3-8-34(47)40(14-7-15-40)35(48)21-27(9-5-6-16-42)37(50)43-28-12-10-26(11-13-28)25-54-39(53)46-19-17-45(18-20-46)33-23-32-29(22-31(33)41)36(49)30(38(51)52)24-44(32)4-2;1-5-35-30(41)34(18-8-19-34)28(39)21-24(9-6-7-20-36-31(42)48-33(2,3)4)29(40)37-25-12-10-23(11-13-25)22-46-32(43)47-27-16-14-26(15-17-27)38(44)45;1-5-28-24(34)27(14-8-15-27)22(32)17-20(9-6-7-16-29-25(35)36-26(2,3)4)23(33)30-21-12-10-19(18-31)11-13-21;1-5-21-17(26)20(10-8-11-20)15(23)13-14(16(24)25)9-6-7-12-22-18(27)28-19(2,3)4;1-2-13-10(17)12(6-3-7-12)11(18)19-14-8(15)4-5-9(14)16;8-7-3-1-6(5-9)2-4-7/h13-16,25-27,30H,6-12,17-24,28H2,1-5H3,(H,47,58)(H,48,55)(H,56,57);10-13,22-24,27H,3-9,14-21,25,42H2,1-2H3,(H,43,50)(H,51,52);10-17,24H,5-9,18-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,40);10-13,20,31H,5-9,14-18H2,1-4H3,(H,28,34)(H,29,35)(H,30,33);14H,5-13H2,1-4H3,(H,21,26)(H,22,27)(H,24,25);2-7H2,1H3,(H,13,17);1-4,9H,5,8H2/t30-;27-;24-;;14-;;/m111.1../s1.

What are the key properties of 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate?

7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate has a molecular weight of 3558.15 g/mol, XLogP of 25.39, 80 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[[4-[[(2R)-6-amino-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;(4-aminophenyl)methanol;7-[4-[[4-[[(2R)-2-[2-(1-butanoylcyclobutyl)-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;tert-butyl N-[(5R)-7-[1-(ethylcarbamoyl)cyclobutyl]-5-[[4-(hydroxymethyl)phenyl]carbamoyl]-7-oxoheptyl]carbamate;(2,5-dioxopyrrolidin-1-yl) 1-(ethylcarbamoyl)cyclobutane-1-carboxylate;(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;[4-[[(2R)-2-[2-[1-(ethylcarbamoyl)cyclobutyl]-2-oxoethyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate is sourced from PubChem (CID 158769684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).