(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one

C214H294N34O24S7 — CID 167562267

About (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one

(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one (PubChem CID 167562267) has the molecular formula C214H294N34O24S7 and a molecular weight of 3951.39 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one.

Molecular Properties

• Compound Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one
• PubChem CID: 167562267
• Molecular Formula: C214H294N34O24S7
• Molecular Weight: 3951.39 g/mol
• Exact Mass: 3948.09
• IUPAC Name: (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one
• SMILES: C=C(NCc1ccc(-c2ccnn2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(NCc1cnc(-c2scnc2C)cn1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(NCc1ncc(-c2scnc2C)cn1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)nc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.Cc1ccsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cc(C(C)C)no2)C(C)C)cc1
• InChI: InChI=1S/2C29H37N3O4S.2C28H35N3O4S.C26H39N5O2S.C26H39N5O2.2C24H36N6O2S/c2*1-16(2)23-14-25(36-31-23)26(17(3)4)29(35)32-15-22(33)13-24(32)28(34)30-19(6)20-7-9-21(10-8-20)27-18(5)11-12-37-27;2*1-16(2)22-13-24(35-30-22)25(17(3)4)28(34)31-15-21(32)12-23(31)27(33)29-14-19-6-8-20(9-7-19)26-18(5)10-11-36-26;1-15(2)29-24(26(6,7)8)25(33)31-13-20(32)11-22(31)17(4)30-16(3)19-9-10-21(27-12-19)23-18(5)28-14-34-23;1-17(2)29-24(26(4,5)6)25(33)31-16-21(32)14-23(31)18(3)27-15-19-8-10-20(11-9-19)22-12-13-28-30(22)7;1-14(2)29-22(24(5,6)7)23(32)30-12-18(31)8-20(30)15(3)25-9-17-10-27-19(11-26-17)21-16(4)28-13-33-21;1-14(2)29-22(24(5,6)7)23(32)30-12-18(31)8-19(30)15(3)25-11-20-26-9-17(10-27-20)21-16(4)28-13-33-21/h2*7-12,14,16-17,19,22,24,26,33H,13,15H2,1-6H3,(H,30,34);2*6-11,13,16-17,21,23,25,32H,12,14-15H2,1-5H3,(H,29,33);9-10,12,14-16,20,22,24,29-30,32H,4,11,13H2,1-3,5-8H3;8-13,17,21,23-24,27,29,32H,3,14-16H2,1-2,4-7H3;10-11,13-14,18,20,22,25,29,31H,3,8-9,12H2,1-2,4-7H3;9-10,13-14,18-19,22,25,29,31H,3,8,11-12H2,1-2,4-7H3/t19-,22+,24-,26?;19-,22+,24-,26-;21-,23+,25?;21-,23+,25+;16-,20+,22-,24+;21-,23+,24-;18-,20+,22-;18-,19+,22-/m00110111/s1
• InChIKey: DUYSQZZCOXGKLM-LTAGYDKNSA-N
• XLogP: 33.42
• TPSA: 762.02 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 53
• Rotatable Bonds: 64
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3951.39
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one?

The IUPAC name of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one (CID 167562267) is (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one.

What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one?

The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one is C=C(NCc1ccc(-c2ccnn2C)cc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(NCc1cnc(-c2scnc2C)cn1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(NCc1ncc(-c2scnc2C)cn1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.C=C(N[C@@H](C)c1ccc(-c2scnc2C)nc1)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)C)C(C)(C)C.Cc1ccsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2cc(C(C)C)no2)C(C)C)cc1.Cc1ccsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cc(C(C)C)no2)C(C)C)cc1.

What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one?

The InChIKey is DUYSQZZCOXGKLM-LTAGYDKNSA-N. The full InChI is InChI=1S/2C29H37N3O4S.2C28H35N3O4S.C26H39N5O2S.C26H39N5O2.2C24H36N6O2S/c2*1-16(2)23-14-25(36-31-23)26(17(3)4)29(35)32-15-22(33)13-24(32)28(34)30-19(6)20-7-9-21(10-8-20)27-18(5)11-12-37-27;2*1-16(2)22-13-24(35-30-22)25(17(3)4)28(34)31-15-21(32)12-23(31)27(33)29-14-19-6-8-20(9-7-19)26-18(5)10-11-36-26;1-15(2)29-24(26(6,7)8)25(33)31-13-20(32)11-22(31)17(4)30-16(3)19-9-10-21(27-12-19)23-18(5)28-14-34-23;1-17(2)29-24(26(4,5)6)25(33)31-16-21(32)14-23(31)18(3)27-15-19-8-10-20(11-9-19)22-12-13-28-30(22)7;1-14(2)29-22(24(5,6)7)23(32)30-12-18(31)8-20(30)15(3)25-9-17-10-27-19(11-26-17)21-16(4)28-13-33-21;1-14(2)29-22(24(5,6)7)23(32)30-12-18(31)8-19(30)15(3)25-11-20-26-9-17(10-27-20)21-16(4)28-13-33-21/h2*7-12,14,16-17,19,22,24,26,33H,13,15H2,1-6H3,(H,30,34);2*6-11,13,16-17,21,23,25,32H,12,14-15H2,1-5H3,(H,29,33);9-10,12,14-16,20,22,24,29-30,32H,4,11,13H2,1-3,5-8H3;8-13,17,21,23-24,27,29,32H,3,14-16H2,1-2,4-7H3;10-11,13-14,18,20,22,25,29,31H,3,8-9,12H2,1-2,4-7H3;9-10,13-14,18-19,22,25,29,31H,3,8,11-12H2,1-2,4-7H3/t19-,22+,24-,26?;19-,22+,24-,26-;21-,23+,25?;21-,23+,25+;16-,20+,22-,24+;21-,23+,24-;18-,20+,22-;18-,19+,22-/m00110111/s1.

What are the key properties of (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one?

(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one has a molecular weight of 3951.39 g/mol, XLogP of 33.42, 64 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[4-(2-methylpyrazol-3-yl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[(1S)-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[1-[[5-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]methylamino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(propan-2-ylamino)butan-1-one is sourced from PubChem (CID 167562267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).