(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one

C145H160N20O20 — CID 161037145

IUPAC(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one
SMILESCc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1
InChIInChI=1S/5C29H32N4O4/c5*1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20/h5*5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3/t22-,24+,26+,29-;22-,24-,26+,29+;22-,24-,26+,29-;22-,24-,26-,29+;22-,24-,26-,29-/m11111/s1
InChIKeyUAKAGGBTLQCRFH-NEPBYRQZSA-N
MW2502.99 g/mol
LogP20.38
Rot. Bonds30

About (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one

(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one (PubChem CID 161037145) has the molecular formula C145H160N20O20 and a molecular weight of 2502.99 g/mol. Its IUPAC name is (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one.

Molecular Properties

Compound Name(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one
PubChem CID161037145
Molecular FormulaC145H160N20O20
Molecular Weight2502.99 g/mol
Exact Mass2501.21
IUPAC Name(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one
SMILESCc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1
InChIInChI=1S/5C29H32N4O4/c5*1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20/h5*5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3/t22-,24+,26+,29-;22-,24-,26+,29+;22-,24-,26+,29-;22-,24-,26-,29+;22-,24-,26-,29-/m11111/s1
InChIKeyUAKAGGBTLQCRFH-NEPBYRQZSA-N
XLogP20.38
TPSA544.45 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002502.99
LogP ≤ 520.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one with MolForge

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Related Compounds

2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one
CID 160642706
2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572787
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572853
(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 163497612
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 159578919
1-[(2S,4R)-2-[(5S)-5-[4-(2-fluorophenyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 162131646
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572338
(2R)-1-[(2S,4R)-4-hydroxy-2-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 160582256
6-[4-[(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
CID 142572498
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572484
2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 142572551
2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 166771200

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one?
The IUPAC name of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one (CID 161037145) is (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one.
What is the SMILES notation for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one?
The canonical SMILES for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one is Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.
What is the InChIKey of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one?
The InChIKey is UAKAGGBTLQCRFH-NEPBYRQZSA-N. The full InChI is InChI=1S/5C29H32N4O4/c5*1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20/h5*5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3/t22-,24+,26+,29-;22-,24-,26+,29+;22-,24-,26+,29-;22-,24-,26-,29+;22-,24-,26-,29-/m11111/s1.
What are the key properties of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one?
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one has a molecular weight of 2502.99 g/mol, XLogP of 20.38, 30 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one is sourced from PubChem (CID 161037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).