(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide

C209H264N26O23S — CID 158834446

IUPAC(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
SMILESCS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(CC1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H28N4O2.C23H25N3O2.C22H28N2O5S.3C20H25N3O2.2C20H30N2O2.2C20H24N2O2/c1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;4*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-9,11,21,27H,10,12-16H2,(H,25,28);2-9,19,23,25H,10-16H2,1H3;3*1-9,18-19,24H,10-14,21H2,(H,22,25);2*4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);2*1-9,19,23H,10-15H2,(H,21,24)/t;;;18-,19+;2*18-,19-;4*19-/m...0101010/s1
InChIKeyIXLLMCHYKSTGFU-KLXDXYTFSA-N
MW3540.64 g/mol
LogP18.86
Rot. Bonds65

About (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide

(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide (PubChem CID 158834446) has the molecular formula C209H264N26O23S and a molecular weight of 3540.64 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
PubChem CID158834446
Molecular FormulaC209H264N26O23S
Molecular Weight3540.64 g/mol
Exact Mass3538.00
IUPAC Name(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide
SMILESCS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(CC1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H28N4O2.C23H25N3O2.C22H28N2O5S.3C20H25N3O2.2C20H30N2O2.2C20H24N2O2/c1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;4*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-9,11,21,27H,10,12-16H2,(H,25,28);2-9,19,23,25H,10-16H2,1H3;3*1-9,18-19,24H,10-14,21H2,(H,22,25);2*4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);2*1-9,19,23H,10-15H2,(H,21,24)/t;;;18-,19+;2*18-,19-;4*19-/m...0101010/s1
InChIKeyIXLLMCHYKSTGFU-KLXDXYTFSA-N
XLogP18.86
TPSA677.84 Ų
H-Bond Donors23
H-Bond Acceptors39
Rotatable Bonds65
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003540.64
LogP ≤ 518.86
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1039

Analyze (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide (CID 158834446) is (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide is CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(CC1CCCCC1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1cccc2cccnc12)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
The InChIKey is IXLLMCHYKSTGFU-KLXDXYTFSA-N. The full InChI is InChI=1S/C24H28N4O2.C23H25N3O2.C22H28N2O5S.3C20H25N3O2.2C20H30N2O2.2C20H24N2O2/c1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;27-21(16-26-12-10-17-5-1-2-6-20(17)15-26)14-25-22(28)13-19-8-3-7-18-9-4-11-24-23(18)19;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;4*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22/h2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-9,11,21,27H,10,12-16H2,(H,25,28);2-9,19,23,25H,10-16H2,1H3;3*1-9,18-19,24H,10-14,21H2,(H,22,25);2*4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);2*1-9,19,23H,10-15H2,(H,21,24)/t;;;18-,19+;2*18-,19-;4*19-/m...0101010/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide?
(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide has a molecular weight of 3540.64 g/mol, XLogP of 18.86, 65 rotatable bonds, 23 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 158834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).