(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide

C128H155N21O11S6 — CID 157201803

IUPAC(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1c1nc(C(c2ccccc2)c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2-c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2csc3ccccc23)cs1.Cc1onc(-c2ccccc2)c1-c1csc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n1
InChIInChI=1S/C28H34N4O2S.C27H32N4O2S.C25H31N5O3S.C25H30N4O2S.C23H28N4O2S2/c1-18(2)25(31-26(33)19(3)29)28(34)32-16-10-15-23(32)27-30-22(17-35-27)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-17(2)24(30-25(32)18(3)28)27(33)31-15-9-14-23(31)26-29-22(16-34-26)21-13-8-7-12-20(21)19-10-5-4-6-11-19;1-14(2)21(28-23(31)15(3)26)25(32)30-12-8-11-19(30)24-27-18(13-34-24)20-16(4)33-29-22(20)17-9-6-5-7-10-17;1-15(2)22(28-23(30)16(3)26)25(31)29-13-7-12-21(29)24-27-20(14-32-24)19-11-6-9-17-8-4-5-10-18(17)19;1-13(2)20(26-21(28)14(3)24)23(29)27-10-6-8-18(27)22-25-17(12-31-22)16-11-30-19-9-5-4-7-15(16)19/h4-9,11-14,17-19,23-25H,10,15-16,29H2,1-3H3,(H,31,33);4-8,10-13,16-18,23-24H,9,14-15,28H2,1-3H3,(H,30,32);5-7,9-10,13-15,19,21H,8,11-12,26H2,1-4H3,(H,28,31);4-6,8-11,14-16,21-22H,7,12-13,26H2,1-3H3,(H,28,30);4-5,7,9,11-14,18,20H,6,8,10,24H2,1-3H3,(H,26,28)/t19-,23+,25-;18-,23-,24-;15-,19-,21-;16-,21-,22-;14-,18-,20-/m00000/s1
InChIKeyAQWPPUKVIWLSPV-XCBVPGBZSA-N
MW2356.19 g/mol
LogP21.32
Rot. Bonds34

About (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide (PubChem CID 157201803) has the molecular formula C128H155N21O11S6 and a molecular weight of 2356.19 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide
PubChem CID157201803
Molecular FormulaC128H155N21O11S6
Molecular Weight2356.19 g/mol
Exact Mass2354.05
IUPAC Name(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1c1nc(C(c2ccccc2)c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2-c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2csc3ccccc23)cs1.Cc1onc(-c2ccccc2)c1-c1csc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n1
InChIInChI=1S/C28H34N4O2S.C27H32N4O2S.C25H31N5O3S.C25H30N4O2S.C23H28N4O2S2/c1-18(2)25(31-26(33)19(3)29)28(34)32-16-10-15-23(32)27-30-22(17-35-27)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-17(2)24(30-25(32)18(3)28)27(33)31-15-9-14-23(31)26-29-22(16-34-26)21-13-8-7-12-20(21)19-10-5-4-6-11-19;1-14(2)21(28-23(31)15(3)26)25(32)30-12-8-11-19(30)24-27-18(13-34-24)20-16(4)33-29-22(20)17-9-6-5-7-10-17;1-15(2)22(28-23(30)16(3)26)25(31)29-13-7-12-21(29)24-27-20(14-32-24)19-11-6-9-17-8-4-5-10-18(17)19;1-13(2)20(26-21(28)14(3)24)23(29)27-10-6-8-18(27)22-25-17(12-31-22)16-11-30-19-9-5-4-7-15(16)19/h4-9,11-14,17-19,23-25H,10,15-16,29H2,1-3H3,(H,31,33);4-8,10-13,16-18,23-24H,9,14-15,28H2,1-3H3,(H,30,32);5-7,9-10,13-15,19,21H,8,11-12,26H2,1-4H3,(H,28,31);4-6,8-11,14-16,21-22H,7,12-13,26H2,1-3H3,(H,28,30);4-5,7,9,11-14,18,20H,6,8,10,24H2,1-3H3,(H,26,28)/t19-,23+,25-;18-,23-,24-;15-,19-,21-;16-,21-,22-;14-,18-,20-/m00000/s1
InChIKeyAQWPPUKVIWLSPV-XCBVPGBZSA-N
XLogP21.32
TPSA467.63 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.19
LogP ≤ 521.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide (CID 157201803) is (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide is CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]1c1nc(C(c2ccccc2)c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2-c2ccccc2)cs1.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1c1nc(-c2csc3ccccc23)cs1.Cc1onc(-c2ccccc2)c1-c1csc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide?
The InChIKey is AQWPPUKVIWLSPV-XCBVPGBZSA-N. The full InChI is InChI=1S/C28H34N4O2S.C27H32N4O2S.C25H31N5O3S.C25H30N4O2S.C23H28N4O2S2/c1-18(2)25(31-26(33)19(3)29)28(34)32-16-10-15-23(32)27-30-22(17-35-27)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21;1-17(2)24(30-25(32)18(3)28)27(33)31-15-9-14-23(31)26-29-22(16-34-26)21-13-8-7-12-20(21)19-10-5-4-6-11-19;1-14(2)21(28-23(31)15(3)26)25(32)30-12-8-11-19(30)24-27-18(13-34-24)20-16(4)33-29-22(20)17-9-6-5-7-10-17;1-15(2)22(28-23(30)16(3)26)25(31)29-13-7-12-21(29)24-27-20(14-32-24)19-11-6-9-17-8-4-5-10-18(17)19;1-13(2)20(26-21(28)14(3)24)23(29)27-10-6-8-18(27)22-25-17(12-31-22)16-11-30-19-9-5-4-7-15(16)19/h4-9,11-14,17-19,23-25H,10,15-16,29H2,1-3H3,(H,31,33);4-8,10-13,16-18,23-24H,9,14-15,28H2,1-3H3,(H,30,32);5-7,9-10,13-15,19,21H,8,11-12,26H2,1-4H3,(H,28,31);4-6,8-11,14-16,21-22H,7,12-13,26H2,1-3H3,(H,28,30);4-5,7,9,11-14,18,20H,6,8,10,24H2,1-3H3,(H,26,28)/t19-,23+,25-;18-,23-,24-;15-,19-,21-;16-,21-,22-;14-,18-,20-/m00000/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide has a molecular weight of 2356.19 g/mol, XLogP of 21.32, 34 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[(2R)-2-(4-benzhydryl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-1-[(2S)-2-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]butan-2-yl]propanamide is sourced from PubChem (CID 157201803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).