(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide

C114H143FN20O12S4 — CID 157191681

IUPAC(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1c1nc(-c2noc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCOCC1.C[C@H](/N=C/N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/C31H41N5O2S.C30H39N5O3S.C28H32FN5O3S.C25H31N5O4S/c1-19(2)25-17-23(22-13-8-9-14-24(22)33-25)26-18-39-30(34-26)27-15-10-16-36(27)31(38)28(21-11-6-5-7-12-21)35-29(37)20(3)32-4;1-18(2)24-16-22(21-8-5-6-9-23(21)32-24)25-17-39-29(33-25)26-10-7-13-35(26)30(37)27(20-11-14-38-15-12-20)34-28(36)19(3)31-4;1-17(31-16-30)26(35)33-25(18-10-13-37-14-11-18)28(36)34-12-4-7-24(34)27-32-23(15-38-27)21-8-9-22(29)20-6-3-2-5-19(20)21;1-15(26-2)23(31)28-21(16-9-12-33-13-10-16)25(32)30-11-5-7-19(30)24-27-18(14-35-24)22-17-6-3-4-8-20(17)34-29-22/h8-9,13-14,17-21,27-28,32H,5-7,10-12,15-16H2,1-4H3,(H,35,37);5-6,8-9,16-20,26-27,31H,7,10-15H2,1-4H3,(H,34,36);2-3,5-6,8-9,15-18,24-25H,4,7,10-14H2,1H3,(H2,30,31)(H,33,35);3-4,6,8,14-16,19,21,26H,5,7,9-13H2,1-2H3,(H,28,31)/t20-,27-,28-;19-,26-,27-;17-,24-,25-;15-,19?,21-/m0000/s1
InChIKeyAPTPULUFCIBIFI-ZLWDLVBLSA-N
MW2132.79 g/mol
LogP17.67
Rot. Bonds30

About (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide

(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 157191681) has the molecular formula C114H143FN20O12S4 and a molecular weight of 2132.79 g/mol. Its IUPAC name is (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
PubChem CID157191681
Molecular FormulaC114H143FN20O12S4
Molecular Weight2132.79 g/mol
Exact Mass2131.01
IUPAC Name(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1c1nc(-c2noc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCOCC1.C[C@H](/N=C/N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1
InChIInChI=1S/C31H41N5O2S.C30H39N5O3S.C28H32FN5O3S.C25H31N5O4S/c1-19(2)25-17-23(22-13-8-9-14-24(22)33-25)26-18-39-30(34-26)27-15-10-16-36(27)31(38)28(21-11-6-5-7-12-21)35-29(37)20(3)32-4;1-18(2)24-16-22(21-8-5-6-9-23(21)32-24)25-17-39-29(33-25)26-10-7-13-35(26)30(37)27(20-11-14-38-15-12-20)34-28(36)19(3)31-4;1-17(31-16-30)26(35)33-25(18-10-13-37-14-11-18)28(36)34-12-4-7-24(34)27-32-23(15-38-27)21-8-9-22(29)20-6-3-2-5-19(20)21;1-15(26-2)23(31)28-21(16-9-12-33-13-10-16)25(32)30-11-5-7-19(30)24-27-18(14-35-24)22-17-6-3-4-8-20(17)34-29-22/h8-9,13-14,17-21,27-28,32H,5-7,10-12,15-16H2,1-4H3,(H,35,37);5-6,8-9,16-20,26-27,31H,7,10-15H2,1-4H3,(H,34,36);2-3,5-6,8-9,15-18,24-25H,4,7,10-14H2,1H3,(H2,30,31)(H,33,35);3-4,6,8,14-16,19,21,26H,5,7,9-13H2,1-2H3,(H,28,31)/t20-,27-,28-;19-,26-,27-;17-,24-,25-;15-,19?,21-/m0000/s1
InChIKeyAPTPULUFCIBIFI-ZLWDLVBLSA-N
XLogP17.67
TPSA403.17 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002132.79
LogP ≤ 517.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide (CID 157191681) is (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1c1nc(-c2noc3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cc(C(C)C)nc3ccccc23)cs1)C1CCOCC1.C[C@H](/N=C/N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1.
What is the InChIKey of (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide?
The InChIKey is APTPULUFCIBIFI-ZLWDLVBLSA-N. The full InChI is InChI=1S/C31H41N5O2S.C30H39N5O3S.C28H32FN5O3S.C25H31N5O4S/c1-19(2)25-17-23(22-13-8-9-14-24(22)33-25)26-18-39-30(34-26)27-15-10-16-36(27)31(38)28(21-11-6-5-7-12-21)35-29(37)20(3)32-4;1-18(2)24-16-22(21-8-5-6-9-23(21)32-24)25-17-39-29(33-25)26-10-7-13-35(26)30(37)27(20-11-14-38-15-12-20)34-28(36)19(3)31-4;1-17(31-16-30)26(35)33-25(18-10-13-37-14-11-18)28(36)34-12-4-7-24(34)27-32-23(15-38-27)21-8-9-22(29)20-6-3-2-5-19(20)21;1-15(26-2)23(31)28-21(16-9-12-33-13-10-16)25(32)30-11-5-7-19(30)24-27-18(14-35-24)22-17-6-3-4-8-20(17)34-29-22/h8-9,13-14,17-21,27-28,32H,5-7,10-12,15-16H2,1-4H3,(H,35,37);5-6,8-9,16-20,26-27,31H,7,10-15H2,1-4H3,(H,34,36);2-3,5-6,8-9,15-18,24-25H,4,7,10-14H2,1H3,(H2,30,31)(H,33,35);3-4,6,8,14-16,19,21,26H,5,7,9-13H2,1-2H3,(H,28,31)/t20-,27-,28-;19-,26-,27-;17-,24-,25-;15-,19?,21-/m0000/s1.
What are the key properties of (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide?
(2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 2132.79 g/mol, XLogP of 17.67, 30 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethylideneamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[2-[4-(1,2-benzoxazol-3-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 157191681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).