(2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

C239H290N28O33S7 — CID 157136074

About (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one

(2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one (PubChem CID 157136074) has the molecular formula C239H290N28O33S7 and a molecular weight of 4307.58 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
• PubChem CID: 157136074
• Molecular Formula: C239H290N28O33S7
• Molecular Weight: 4307.58 g/mol
• Exact Mass: 4303.99
• IUPAC Name: (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
• SMILES: CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(C2(O)CCC2)cc1)N1Cc2ccccc2C1=O.Cc1ncsc1-c1ccc(C/N=C(\N)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1
• InChI: InChI=1S/C32H46N4O6S.3C31H35N3O4S.C30H36N2O5.C29H33N5O3S.C29H34N4O3S.C26H36N4O4S/c1-19-25(43-18-33-19)22-13-10-21(11-14-22)12-15-24(38)32(9)16-23(37)17-36(32)28(40)26(30(3,4)5)35-27(39)20(2)34-29(41)42-31(6,7)8;3*1-19(2)27(33-16-23-7-5-6-8-25(23)29(33)37)30(38)34-17-24(35)15-31(34,4)26(36)14-11-21-9-12-22(13-10-21)28-20(3)32-18-39-28;1-19(2)27(32-17-21-6-3-4-7-24(21)28(32)35)29(36)31-18-23(33)16-25(31)26(34)13-10-20-8-11-22(12-9-20)30(37)14-5-15-30;1-17(2)25(34-14-21-6-4-5-7-23(21)28(34)36)29(37)33-15-22(35)12-24(33)27(30)31-13-19-8-10-20(11-9-19)26-18(3)32-16-38-26;1-18(2)26(33-15-22-6-4-5-7-25(22)28(33)35)29(36)32-16-24(34)12-23(32)14-30-13-20-8-10-21(11-9-20)27-19(3)31-17-37-27;1-15(27)24(33)29-23(26(3,4)5)25(34)30-13-19(31)12-20(30)21(32)11-8-17-6-9-18(10-7-17)22-16(2)28-14-35-22/h10-11,13-14,18,20,23,26,37H,12,15-17H2,1-9H3,(H,34,41)(H,35,39);3*5-10,12-13,18-19,24,27,35H,11,14-17H2,1-4H3;3-4,6-9,11-12,19,23,25,27,33,37H,5,10,13-18H2,1-2H3;4-11,16-17,22,24-25,35H,12-15H2,1-3H3,(H2,30,31);4-11,17-18,23-24,26,30,34H,12-16H2,1-3H3;6-7,9-10,14-15,19-20,23,31H,8,11-13,27H2,1-5H3,(H,29,33)/t20-,23+,26+,32?;3*24-,27+,31?;23-,25+,27+;22-,24+,25+;23-,24+,26-;15-,19+,20-,23+/m01111100/s1
• InChIKey: AJQDZNJCOUSNKS-WIBYLGNZSA-N
• XLogP: 31.51
• TPSA: 832.02 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 64
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4307.58
LogP ≤ 5	31.51
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one (CID 157136074) is (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one.

What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one is CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)CCc1ccc(C2(O)CCC2)cc1)N1Cc2ccccc2C1=O.Cc1ncsc1-c1ccc(C/N=C(\N)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2(C)C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.

What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

The InChIKey is AJQDZNJCOUSNKS-WIBYLGNZSA-N. The full InChI is InChI=1S/C32H46N4O6S.3C31H35N3O4S.C30H36N2O5.C29H33N5O3S.C29H34N4O3S.C26H36N4O4S/c1-19-25(43-18-33-19)22-13-10-21(11-14-22)12-15-24(38)32(9)16-23(37)17-36(32)28(40)26(30(3,4)5)35-27(39)20(2)34-29(41)42-31(6,7)8;3*1-19(2)27(33-16-23-7-5-6-8-25(23)29(33)37)30(38)34-17-24(35)15-31(34,4)26(36)14-11-21-9-12-22(13-10-21)28-20(3)32-18-39-28;1-19(2)27(32-17-21-6-3-4-7-24(21)28(32)35)29(36)31-18-23(33)16-25(31)26(34)13-10-20-8-11-22(12-9-20)30(37)14-5-15-30;1-17(2)25(34-14-21-6-4-5-7-23(21)28(34)36)29(37)33-15-22(35)12-24(33)27(30)31-13-19-8-10-20(11-9-19)26-18(3)32-16-38-26;1-18(2)26(33-15-22-6-4-5-7-25(22)28(33)35)29(36)32-16-24(34)12-23(32)14-30-13-20-8-10-21(11-9-20)27-19(3)31-17-37-27;1-15(27)24(33)29-23(26(3,4)5)25(34)30-13-19(31)12-20(30)21(32)11-8-17-6-9-18(10-7-17)22-16(2)28-14-35-22/h10-11,13-14,18,20,23,26,37H,12,15-17H2,1-9H3,(H,34,41)(H,35,39);3*5-10,12-13,18-19,24,27,35H,11,14-17H2,1-4H3;3-4,6-9,11-12,19,23,25,27,33,37H,5,10,13-18H2,1-2H3;4-11,16-17,22,24-25,35H,12-15H2,1-3H3,(H2,30,31);4-11,17-18,23-24,26,30,34H,12-16H2,1-3H3;6-7,9-10,14-15,19-20,23,31H,8,11-13,27H2,1-5H3,(H,29,33)/t20-,23+,26+,32?;3*24-,27+,31?;23-,25+,27+;22-,24+,25+;23-,24+,26-;15-,19+,20-,23+/m01111100/s1.

What are the key properties of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one?

(2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one has a molecular weight of 4307.58 g/mol, XLogP of 31.51, 64 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(1-hydroxycyclobutyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 157136074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).