(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate

C164H188N6O26S5 — CID 159236480

IUPAC(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)C[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)C[C@H](CO)CC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21.N[C@@H](CSc1ccccc1)CC(=O)N1CCC(O)CC1.N[C@H](CCN1CCC(O)CC1)CSc1ccccc1.O=C(NC(CSc1ccccc1)CC(=O)N1CCC(O)CC1)OCC1c2ccccc2-c2ccccc21.O=C(O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H32N2O4S.C30H32O4S.C26H24O4S.C24H26O6.C24H28O5.C15H22N2O2S.C15H24N2OS/c33-22-14-16-32(17-15-22)29(34)18-21(20-37-23-8-2-1-3-9-23)31-30(35)36-19-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28;1-30(2,3)34-29(32)18-21(20-35-22-11-5-4-6-12-22)17-28(31)33-19-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27;27-25(28)14-18(17-31-19-8-2-1-3-9-19)15-26(29)30-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24;1-24(2,3)30-22(26)13-15(23(27)28)12-21(25)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-24(2,3)29-23(27)13-16(14-25)12-22(26)28-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;16-12(11-20-14-4-2-1-3-5-14)10-15(19)17-8-6-13(18)7-9-17;16-13(12-19-15-4-2-1-3-5-15)6-9-17-10-7-14(18)8-11-17/h1-13,21-22,28,33H,14-20H2,(H,31,35);4-16,21,27H,17-20H2,1-3H3;1-13,18,24H,14-17H2,(H,27,28);4-11,15,20H,12-14H2,1-3H3,(H,27,28);4-11,16,21,25H,12-15H2,1-3H3;1-5,12-13,18H,6-11,16H2;1-5,13-14,18H,6-12,16H2/t;21-;18-;15-;16-;12-;13-/m.101111/s1
InChIKeyKTNQDCPMLOKYPE-WLMFKUJUSA-N
MW2819.66 g/mol
LogP29.22
Rot. Bonds51

About (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate

(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate (PubChem CID 159236480) has the molecular formula C164H188N6O26S5 and a molecular weight of 2819.66 g/mol. Its IUPAC name is (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate.

Molecular Properties

Compound Name(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
PubChem CID159236480
Molecular FormulaC164H188N6O26S5
Molecular Weight2819.66 g/mol
Exact Mass2817.22
IUPAC Name(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)C[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)C[C@H](CO)CC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21.N[C@@H](CSc1ccccc1)CC(=O)N1CCC(O)CC1.N[C@H](CCN1CCC(O)CC1)CSc1ccccc1.O=C(NC(CSc1ccccc1)CC(=O)N1CCC(O)CC1)OCC1c2ccccc2-c2ccccc21.O=C(O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H32N2O4S.C30H32O4S.C26H24O4S.C24H26O6.C24H28O5.C15H22N2O2S.C15H24N2OS/c33-22-14-16-32(17-15-22)29(34)18-21(20-37-23-8-2-1-3-9-23)31-30(35)36-19-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28;1-30(2,3)34-29(32)18-21(20-35-22-11-5-4-6-12-22)17-28(31)33-19-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27;27-25(28)14-18(17-31-19-8-2-1-3-9-19)15-26(29)30-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24;1-24(2,3)30-22(26)13-15(23(27)28)12-21(25)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-24(2,3)29-23(27)13-16(14-25)12-22(26)28-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;16-12(11-20-14-4-2-1-3-5-14)10-15(19)17-8-6-13(18)7-9-17;16-13(12-19-15-4-2-1-3-5-15)6-9-17-10-7-14(18)8-11-17/h1-13,21-22,28,33H,14-20H2,(H,31,35);4-16,21,27H,17-20H2,1-3H3;1-13,18,24H,14-17H2,(H,27,28);4-11,15,20H,12-14H2,1-3H3,(H,27,28);4-11,16,21,25H,12-15H2,1-3H3;1-5,12-13,18H,6-11,16H2;1-5,13-14,18H,6-12,16H2/t;21-;18-;15-;16-;12-;13-/m.101111/s1
InChIKeyKTNQDCPMLOKYPE-WLMFKUJUSA-N
XLogP29.22
TPSA473.85 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds51
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002819.66
LogP ≤ 529.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one
CID 155229480
benzenethiol;tert-butyl 3-amino-4-phenylsulfanylbutanoate;tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfonyloxybutanoate;deuterium monohydride;methane
CID 161492564
tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoate
CID 169448611
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 7018816
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 162717192
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;hydrate
CID 71317335
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 122240309
(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 59669590
tert-butyl (3S)-4-(4-tert-butylpiperidin-1-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate;4-tert-butylpiperidine;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 161414616
5-(9H-fluoren-9-ylmethoxy)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 162054957
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 7009545
tert-butyl (3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoyl]amino]-4-oxo-4-(prop-2-ynylamino)butanoate
CID 46845929

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The IUPAC name of (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate (CID 159236480) is (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate.
What is the SMILES notation for (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The canonical SMILES for (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate is CC(C)(C)OC(=O)C[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC(C)(C)OC(=O)C[C@H](CO)CC(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)OC(=O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21.N[C@@H](CSc1ccccc1)CC(=O)N1CCC(O)CC1.N[C@H](CCN1CCC(O)CC1)CSc1ccccc1.O=C(NC(CSc1ccccc1)CC(=O)N1CCC(O)CC1)OCC1c2ccccc2-c2ccccc21.O=C(O)C[C@H](CSc1ccccc1)CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
The InChIKey is KTNQDCPMLOKYPE-WLMFKUJUSA-N. The full InChI is InChI=1S/C30H32N2O4S.C30H32O4S.C26H24O4S.C24H26O6.C24H28O5.C15H22N2O2S.C15H24N2OS/c33-22-14-16-32(17-15-22)29(34)18-21(20-37-23-8-2-1-3-9-23)31-30(35)36-19-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28;1-30(2,3)34-29(32)18-21(20-35-22-11-5-4-6-12-22)17-28(31)33-19-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27;27-25(28)14-18(17-31-19-8-2-1-3-9-19)15-26(29)30-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24;1-24(2,3)30-22(26)13-15(23(27)28)12-21(25)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20;1-24(2,3)29-23(27)13-16(14-25)12-22(26)28-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;16-12(11-20-14-4-2-1-3-5-14)10-15(19)17-8-6-13(18)7-9-17;16-13(12-19-15-4-2-1-3-5-15)6-9-17-10-7-14(18)8-11-17/h1-13,21-22,28,33H,14-20H2,(H,31,35);4-16,21,27H,17-20H2,1-3H3;1-13,18,24H,14-17H2,(H,27,28);4-11,15,20H,12-14H2,1-3H3,(H,27,28);4-11,16,21,25H,12-15H2,1-3H3;1-5,12-13,18H,6-11,16H2;1-5,13-14,18H,6-12,16H2/t;21-;18-;15-;16-;12-;13-/m.101111/s1.
What are the key properties of (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate?
(3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate has a molecular weight of 2819.66 g/mol, XLogP of 29.22, 51 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(4-hydroxypiperidin-1-yl)-4-phenylsulfanylbutan-1-one;1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-ol;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(hydroxymethyl)pentanedioate;5-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) (3R)-3-(phenylsulfanylmethyl)pentanedioate;(2R)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(3S)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid;9H-fluoren-9-ylmethyl N-[4-(4-hydroxypiperidin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate is sourced from PubChem (CID 159236480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).