(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide

C190H213N21O43S4 — CID 160894674

IUPAC(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)(NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.COc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.O=C(NCCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O5.C21H24N2O4.C20H22N2O4.C19H22N2O5.C19H22N2O4S.C18H19N3O4.C18H20N2O5.3C18H20N2O4S/c1-13(14-7-9-17(28-2)10-8-14)22-20(26)18(24)19(25)21(27)23-11-15-5-3-4-6-16(15)12-23;1-21(2,16-10-4-3-5-11-16)22-19(26)17(24)18(25)20(27)23-12-14-8-6-7-9-15(14)13-23;1-13(14-7-3-2-4-8-14)21-19(25)17(23)18(24)20(26)22-11-15-9-5-6-10-16(15)12-22;2*22-16(18(24)20-9-7-15-6-3-11-26-15)17(23)19(25)21-10-8-13-4-1-2-5-14(13)12-21;22-15(17(24)20-9-14-7-3-4-8-19-14)16(23)18(25)21-10-12-5-1-2-6-13(12)11-21;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20;21-15(17(23)19-9-7-13-5-3-11-25-13)16(22)18(24)20-10-8-12-4-1-2-6-14(12)20;21-15(17(23)19-8-7-14-6-3-9-25-14)16(22)18(24)20-10-12-4-1-2-5-13(12)11-20;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20/h3-10,13,18-19,24-25H,11-12H2,1-2H3,(H,22,26);3-11,17-18,24-25H,12-13H2,1-2H3,(H,22,26);2-10,13,17-18,23-24H,11-12H2,1H3,(H,21,25);2*1-6,11,16-17,22-23H,7-10,12H2,(H,20,24);1-8,15-16,22-23H,9-11H2,(H,20,24);1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23);1-6,11,15-16,21-22H,7-10H2,(H,19,23);2*1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23)/t13-,18-,19-;17-,18-;13-,17-,18-;2*16-,17-;5*15-,16-/m1111111111/s1
InChIKeySOSFJACLWMELHA-MIYDFCAFSA-N
MW3607.17 g/mol
LogP6.75
Rot. Bonds55

About (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide (PubChem CID 160894674) has the molecular formula C190H213N21O43S4 and a molecular weight of 3607.17 g/mol. Its IUPAC name is (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide
PubChem CID160894674
Molecular FormulaC190H213N21O43S4
Molecular Weight3607.17 g/mol
Exact Mass3604.40
IUPAC Name(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide
SMILESCC(C)(NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.COc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.O=C(NCCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O5.C21H24N2O4.C20H22N2O4.C19H22N2O5.C19H22N2O4S.C18H19N3O4.C18H20N2O5.3C18H20N2O4S/c1-13(14-7-9-17(28-2)10-8-14)22-20(26)18(24)19(25)21(27)23-11-15-5-3-4-6-16(15)12-23;1-21(2,16-10-4-3-5-11-16)22-19(26)17(24)18(25)20(27)23-12-14-8-6-7-9-15(14)13-23;1-13(14-7-3-2-4-8-14)21-19(25)17(23)18(24)20(26)22-11-15-9-5-6-10-16(15)12-22;2*22-16(18(24)20-9-7-15-6-3-11-26-15)17(23)19(25)21-10-8-13-4-1-2-5-14(13)12-21;22-15(17(24)20-9-14-7-3-4-8-19-14)16(23)18(25)21-10-12-5-1-2-6-13(12)11-21;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20;21-15(17(23)19-9-7-13-5-3-11-25-13)16(22)18(24)20-10-8-12-4-1-2-6-14(12)20;21-15(17(23)19-8-7-14-6-3-9-25-14)16(22)18(24)20-10-12-4-1-2-5-13(12)11-20;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20/h3-10,13,18-19,24-25H,11-12H2,1-2H3,(H,22,26);3-11,17-18,24-25H,12-13H2,1-2H3,(H,22,26);2-10,13,17-18,23-24H,11-12H2,1H3,(H,21,25);2*1-6,11,16-17,22-23H,7-10,12H2,(H,20,24);1-8,15-16,22-23H,9-11H2,(H,20,24);1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23);1-6,11,15-16,21-22H,7-10H2,(H,19,23);2*1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23)/t13-,18-,19-;17-,18-;13-,17-,18-;2*16-,17-;5*15-,16-/m1111111111/s1
InChIKeySOSFJACLWMELHA-MIYDFCAFSA-N
XLogP6.75
TPSA947.10 Ų
H-Bond Donors30
H-Bond Acceptors48
Rotatable Bonds55
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003607.17
LogP ≤ 56.75
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1048

Analyze (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide (CID 160894674) is (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide is CC(C)(NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.COc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1)c1ccccc1.O=C(NCCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccccn1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccco1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.O=C(NCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is SOSFJACLWMELHA-MIYDFCAFSA-N. The full InChI is InChI=1S/C21H24N2O5.C21H24N2O4.C20H22N2O4.C19H22N2O5.C19H22N2O4S.C18H19N3O4.C18H20N2O5.3C18H20N2O4S/c1-13(14-7-9-17(28-2)10-8-14)22-20(26)18(24)19(25)21(27)23-11-15-5-3-4-6-16(15)12-23;1-21(2,16-10-4-3-5-11-16)22-19(26)17(24)18(25)20(27)23-12-14-8-6-7-9-15(14)13-23;1-13(14-7-3-2-4-8-14)21-19(25)17(23)18(24)20(26)22-11-15-9-5-6-10-16(15)12-22;2*22-16(18(24)20-9-7-15-6-3-11-26-15)17(23)19(25)21-10-8-13-4-1-2-5-14(13)12-21;22-15(17(24)20-9-14-7-3-4-8-19-14)16(23)18(25)21-10-12-5-1-2-6-13(12)11-21;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20;21-15(17(23)19-9-7-13-5-3-11-25-13)16(22)18(24)20-10-8-12-4-1-2-6-14(12)20;21-15(17(23)19-8-7-14-6-3-9-25-14)16(22)18(24)20-10-12-4-1-2-5-13(12)11-20;21-15(17(23)19-10-14-6-3-9-25-14)16(22)18(24)20-8-7-12-4-1-2-5-13(12)11-20/h3-10,13,18-19,24-25H,11-12H2,1-2H3,(H,22,26);3-11,17-18,24-25H,12-13H2,1-2H3,(H,22,26);2-10,13,17-18,23-24H,11-12H2,1H3,(H,21,25);2*1-6,11,16-17,22-23H,7-10,12H2,(H,20,24);1-8,15-16,22-23H,9-11H2,(H,20,24);1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23);1-6,11,15-16,21-22H,7-10H2,(H,19,23);2*1-6,9,15-16,21-22H,7-8,10-11H2,(H,19,23)/t13-,18-,19-;17-,18-;13-,17-,18-;2*16-,17-;5*15-,16-/m1111111111/s1.
What are the key properties of (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 3607.17 g/mol, XLogP of 6.75, 55 rotatable bonds, 30 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-phenylethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-phenylpropan-2-yl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(pyridin-2-ylmethyl)butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-(thiophen-2-ylmethyl)butanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(furan-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 160894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).