5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one

C186H234N24O30 — CID 161464481

IUPAC5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one
SMILESCC(C)C(C)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(C)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(N)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CN1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.O=C(OCc1ccccc1)N1CCCC12C(=O)CC2c1ccccc1.O=C1CC(c2ccccc2)C12CCCN2
InChIInChI=1S/C26H30N2O4.C25H29N3O4.C22H31N3O4.C21H30N4O4.C21H22N2O3.C21H21NO3.C20H33N5O5.C17H23N3O2.C13H15NO/c1-18(2)19(3)23(29)28-22(21-13-8-5-9-14-21)26(24(28)30)15-10-16-27(26)25(31)32-17-20-11-6-4-7-12-20;1-17(2)20(26)22(29)28-21(19-12-7-4-8-13-19)25(23(28)30)14-9-15-27(25)24(31)32-16-18-10-5-3-6-11-18;1-13(2)17(23)20(28)25-18(16-9-6-5-7-10-16)22(21(25)29)11-8-12-24(22)19(27)14(3)15(4)26;1-12(2)15(22)19(28)25-17(14-8-5-4-6-9-14)21(20(25)29)10-7-11-24(21)18(27)16(23)13(3)26;1-22-18(17-11-6-3-7-12-17)21(19(22)24)13-8-14-23(21)20(25)26-15-16-9-4-2-5-10-16;23-19-14-18(17-10-5-2-6-11-17)21(19)12-7-13-22(21)20(24)25-15-16-8-3-1-4-9-16;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-11(2)13(18)15(21)20-14(12-7-4-3-5-8-12)17(16(20)22)9-6-10-19-17;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13/h4-9,11-14,18-19,22H,10,15-17H2,1-3H3;3-8,10-13,17,20-21H,9,14-16,26H2,1-2H3;5-7,9-10,13-15,17-18,26H,8,11-12,23H2,1-4H3;4-6,8-9,12-13,15-17,26H,7,10-11,22-23H2,1-3H3;2-7,9-12,18H,8,13-15H2,1H3;1-6,8-11,18H,7,12-15H2;11-15,26H,4-10,21-22H2,1-3H3;3-5,7-8,11,13-14,19H,6,9-10,18H2,1-2H3;1-3,5-6,11,14H,4,7-9H2
InChIKeyWCFZETLURKUBQF-UHFFFAOYSA-N
MW3286.06 g/mol
LogP18.17
Rot. Bonds35

About 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one

5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one (PubChem CID 161464481) has the molecular formula C186H234N24O30 and a molecular weight of 3286.06 g/mol. Its IUPAC name is 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one
PubChem CID161464481
Molecular FormulaC186H234N24O30
Molecular Weight3286.06 g/mol
Exact Mass3283.75
IUPAC Name5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one
SMILESCC(C)C(C)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(C)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(N)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CN1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.O=C(OCc1ccccc1)N1CCCC12C(=O)CC2c1ccccc1.O=C1CC(c2ccccc2)C12CCCN2
InChIInChI=1S/C26H30N2O4.C25H29N3O4.C22H31N3O4.C21H30N4O4.C21H22N2O3.C21H21NO3.C20H33N5O5.C17H23N3O2.C13H15NO/c1-18(2)19(3)23(29)28-22(21-13-8-5-9-14-21)26(24(28)30)15-10-16-27(26)25(31)32-17-20-11-6-4-7-12-20;1-17(2)20(26)22(29)28-21(19-12-7-4-8-13-19)25(23(28)30)14-9-15-27(25)24(31)32-16-18-10-5-3-6-11-18;1-13(2)17(23)20(28)25-18(16-9-6-5-7-10-16)22(21(25)29)11-8-12-24(22)19(27)14(3)15(4)26;1-12(2)15(22)19(28)25-17(14-8-5-4-6-9-14)21(20(25)29)10-7-11-24(21)18(27)16(23)13(3)26;1-22-18(17-11-6-3-7-12-17)21(19(22)24)13-8-14-23(21)20(25)26-15-16-9-4-2-5-10-16;23-19-14-18(17-10-5-2-6-11-17)21(19)12-7-13-22(21)20(24)25-15-16-8-3-1-4-9-16;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-11(2)13(18)15(21)20-14(12-7-4-3-5-8-12)17(16(20)22)9-6-10-19-17;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13/h4-9,11-14,18-19,22H,10,15-17H2,1-3H3;3-8,10-13,17,20-21H,9,14-16,26H2,1-2H3;5-7,9-10,13-15,17-18,26H,8,11-12,23H2,1-4H3;4-6,8-9,12-13,15-17,26H,7,10-11,22-23H2,1-3H3;2-7,9-12,18H,8,13-15H2,1H3;1-6,8-11,18H,7,12-15H2;11-15,26H,4-10,21-22H2,1-3H3;3-5,7-8,11,13-14,19H,6,9-10,18H2,1-2H3;1-3,5-6,11,14H,4,7-9H2
InChIKeyWCFZETLURKUBQF-UHFFFAOYSA-N
XLogP18.17
TPSA745.02 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003286.06
LogP ≤ 518.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one?
The IUPAC name of 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one (CID 161464481) is 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one?
The canonical SMILES for 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one is CC(C)C(C)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(C)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)C(N)C(C)O)C1c1ccccc1.CC(C)C(N)C(=O)N1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CN1C(=O)C2(CCCN2C(=O)OCc2ccccc2)C1c1ccccc1.O=C(OCc1ccccc1)N1CCCC12C(=O)CC2c1ccccc1.O=C1CC(c2ccccc2)C12CCCN2.
What is the InChIKey of 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one?
The InChIKey is WCFZETLURKUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4.C25H29N3O4.C22H31N3O4.C21H30N4O4.C21H22N2O3.C21H21NO3.C20H33N5O5.C17H23N3O2.C13H15NO/c1-18(2)19(3)23(29)28-22(21-13-8-5-9-14-21)26(24(28)30)15-10-16-27(26)25(31)32-17-20-11-6-4-7-12-20;1-17(2)20(26)22(29)28-21(19-12-7-4-8-13-19)25(23(28)30)14-9-15-27(25)24(31)32-16-18-10-5-3-6-11-18;1-13(2)17(23)20(28)25-18(16-9-6-5-7-10-16)22(21(25)29)11-8-12-24(22)19(27)14(3)15(4)26;1-12(2)15(22)19(28)25-17(14-8-5-4-6-9-14)21(20(25)29)10-7-11-24(21)18(27)16(23)13(3)26;1-22-18(17-11-6-3-7-12-17)21(19(22)24)13-8-14-23(21)20(25)26-15-16-9-4-2-5-10-16;23-19-14-18(17-10-5-2-6-11-17)21(19)12-7-13-22(21)20(24)25-15-16-8-3-1-4-9-16;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-11(2)13(18)15(21)20-14(12-7-4-3-5-8-12)17(16(20)22)9-6-10-19-17;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13/h4-9,11-14,18-19,22H,10,15-17H2,1-3H3;3-8,10-13,17,20-21H,9,14-16,26H2,1-2H3;5-7,9-10,13-15,17-18,26H,8,11-12,23H2,1-4H3;4-6,8-9,12-13,15-17,26H,7,10-11,22-23H2,1-3H3;2-7,9-12,18H,8,13-15H2,1H3;1-6,8-11,18H,7,12-15H2;11-15,26H,4-10,21-22H2,1-3H3;3-5,7-8,11,13-14,19H,6,9-10,18H2,1-2H3;1-3,5-6,11,14H,4,7-9H2.
What are the key properties of 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one?
5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one has a molecular weight of 3286.06 g/mol, XLogP of 18.17, 35 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-hydroxybutanoyl)-2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;benzyl 2-(2-amino-3-methylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-(2,3-dimethylbutanoyl)-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 2-methyl-3-oxo-1-phenyl-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-1-phenyl-5-azaspiro[3.4]octane-5-carboxylate;1-phenyl-5-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 161464481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).