2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane

C183H274N16O51PtS2 — CID 158462111

IUPAC2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane
SMILESC.C.C=CCCCC(C(=O)OCC)C(=O)OCC.CC(C)(C)OC(=O)N1CCCc2ccc(CCCC(CO)C(=O)O)nc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(CCCC(C)=O)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)O.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)NCCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2cccnc2n1)C(=O)OCC.CCOC(=O)[C@H](CN)NCC(=O)c1ccccc1.CCOC(=O)[C@H](CNC(=O)C(CO)CCCc1ccc2c(n1)CCCC2)CC(=O)OCc1ccccc1.Nc1ncccc1C=O.O=[Pt]=O.S.S.[H][H]
InChIInChI=1S/C29H38N2O6.C23H34N2O6.C21H30N2O6.C19H28N2O5.C18H26N2O4.C18H22N2O4.C13H18N2O3.C12H20O5.C12H20O4.C10H18O5.C6H6N2O.2CH4.2O.Pt.2H2S.H2/c1-2-36-29(35)24(17-27(33)37-20-21-9-4-3-5-10-21)18-30-28(34)23(19-32)12-8-13-25-16-15-22-11-6-7-14-26(22)31-25;1-6-29-20(26)18(21(27)30-7-2)12-8-11-17-14-13-16-10-9-15-25(19(16)24-17)22(28)31-23(3,4)5;1-5-28-19(26)16(18(24)25)10-6-9-15-12-11-14-8-7-13-23(17(14)22-15)20(27)29-21(2,3)4;1-19(2,3)26-18(25)21-11-5-7-13-9-10-15(20-16(13)21)8-4-6-14(12-22)17(23)24;2*1-3-23-17(21)15(18(22)24-4-2)9-5-8-14-11-10-13-7-6-12-19-16(13)20-14;1-2-18-13(17)11(8-14)15-9-12(16)10-6-4-3-5-7-10;1-4-16-11(14)10(12(15)17-5-2)8-6-7-9(3)13;1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-6-5(4-9)2-1-3-8-6;;;;;;;;/h3-5,9-10,15-16,23-24,32H,2,6-8,11-14,17-20H2,1H3,(H,30,34);13-14,18H,6-12,15H2,1-5H3;11-12,16H,5-10,13H2,1-4H3,(H,24,25);9-10,14,22H,4-8,11-12H2,1-3H3,(H,23,24);10-11,15H,3-9,12H2,1-2H3,(H,19,20);6-7,10-12,15H,3-5,8-9H2,1-2H3;3-7,11,15H,2,8-9,14H2,1H3;10H,4-8H2,1-3H3;4,10H,1,5-9H2,2-3H3;1-6H3;1-4H,(H2,7,8);2*1H4;;;;2*1H2;1H/t23?,24-;;;;;;11-;;;;;;;;;;;;/m0.....0............/s1
InChIKeyWJYZTWHQBMRAMY-OKZQVDOMSA-N
MW3773.48 g/mol
LogP27.27
Rot. Bonds75

About 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane

2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane (PubChem CID 158462111) has the molecular formula C183H274N16O51PtS2 and a molecular weight of 3773.48 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane
PubChem CID158462111
Molecular FormulaC183H274N16O51PtS2
Molecular Weight3773.48 g/mol
Exact Mass3770.84
IUPAC Name2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane
SMILESC.C.C=CCCCC(C(=O)OCC)C(=O)OCC.CC(C)(C)OC(=O)N1CCCc2ccc(CCCC(CO)C(=O)O)nc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(CCCC(C)=O)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)O.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)NCCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2cccnc2n1)C(=O)OCC.CCOC(=O)[C@H](CN)NCC(=O)c1ccccc1.CCOC(=O)[C@H](CNC(=O)C(CO)CCCc1ccc2c(n1)CCCC2)CC(=O)OCc1ccccc1.Nc1ncccc1C=O.O=[Pt]=O.S.S.[H][H]
InChIInChI=1S/C29H38N2O6.C23H34N2O6.C21H30N2O6.C19H28N2O5.C18H26N2O4.C18H22N2O4.C13H18N2O3.C12H20O5.C12H20O4.C10H18O5.C6H6N2O.2CH4.2O.Pt.2H2S.H2/c1-2-36-29(35)24(17-27(33)37-20-21-9-4-3-5-10-21)18-30-28(34)23(19-32)12-8-13-25-16-15-22-11-6-7-14-26(22)31-25;1-6-29-20(26)18(21(27)30-7-2)12-8-11-17-14-13-16-10-9-15-25(19(16)24-17)22(28)31-23(3,4)5;1-5-28-19(26)16(18(24)25)10-6-9-15-12-11-14-8-7-13-23(17(14)22-15)20(27)29-21(2,3)4;1-19(2,3)26-18(25)21-11-5-7-13-9-10-15(20-16(13)21)8-4-6-14(12-22)17(23)24;2*1-3-23-17(21)15(18(22)24-4-2)9-5-8-14-11-10-13-7-6-12-19-16(13)20-14;1-2-18-13(17)11(8-14)15-9-12(16)10-6-4-3-5-7-10;1-4-16-11(14)10(12(15)17-5-2)8-6-7-9(3)13;1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-6-5(4-9)2-1-3-8-6;;;;;;;;/h3-5,9-10,15-16,23-24,32H,2,6-8,11-14,17-20H2,1H3,(H,30,34);13-14,18H,6-12,15H2,1-5H3;11-12,16H,5-10,13H2,1-4H3,(H,24,25);9-10,14,22H,4-8,11-12H2,1-3H3,(H,23,24);10-11,15H,3-9,12H2,1-2H3,(H,19,20);6-7,10-12,15H,3-5,8-9H2,1-2H3;3-7,11,15H,2,8-9,14H2,1H3;10H,4-8H2,1-3H3;4,10H,1,5-9H2,2-3H3;1-6H3;1-4H,(H2,7,8);2*1H4;;;;2*1H2;1H/t23?,24-;;;;;;11-;;;;;;;;;;;;/m0.....0............/s1
InChIKeyWJYZTWHQBMRAMY-OKZQVDOMSA-N
XLogP27.27
TPSA927.38 Ų
H-Bond Donors9
H-Bond Acceptors61
Rotatable Bonds75
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003773.48
LogP ≤ 527.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane (CID 158462111) is 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane is C.C.C=CCCCC(C(=O)OCC)C(=O)OCC.CC(C)(C)OC(=O)N1CCCc2ccc(CCCC(CO)C(=O)O)nc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(CCCC(C)=O)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)O.CCOC(=O)C(CCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2c(n1)NCCC2)C(=O)OCC.CCOC(=O)C(CCCc1ccc2cccnc2n1)C(=O)OCC.CCOC(=O)[C@H](CN)NCC(=O)c1ccccc1.CCOC(=O)[C@H](CNC(=O)C(CO)CCCc1ccc2c(n1)CCCC2)CC(=O)OCc1ccccc1.Nc1ncccc1C=O.O=[Pt]=O.S.S.[H][H].
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane?
The InChIKey is WJYZTWHQBMRAMY-OKZQVDOMSA-N. The full InChI is InChI=1S/C29H38N2O6.C23H34N2O6.C21H30N2O6.C19H28N2O5.C18H26N2O4.C18H22N2O4.C13H18N2O3.C12H20O5.C12H20O4.C10H18O5.C6H6N2O.2CH4.2O.Pt.2H2S.H2/c1-2-36-29(35)24(17-27(33)37-20-21-9-4-3-5-10-21)18-30-28(34)23(19-32)12-8-13-25-16-15-22-11-6-7-14-26(22)31-25;1-6-29-20(26)18(21(27)30-7-2)12-8-11-17-14-13-16-10-9-15-25(19(16)24-17)22(28)31-23(3,4)5;1-5-28-19(26)16(18(24)25)10-6-9-15-12-11-14-8-7-13-23(17(14)22-15)20(27)29-21(2,3)4;1-19(2,3)26-18(25)21-11-5-7-13-9-10-15(20-16(13)21)8-4-6-14(12-22)17(23)24;2*1-3-23-17(21)15(18(22)24-4-2)9-5-8-14-11-10-13-7-6-12-19-16(13)20-14;1-2-18-13(17)11(8-14)15-9-12(16)10-6-4-3-5-7-10;1-4-16-11(14)10(12(15)17-5-2)8-6-7-9(3)13;1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-6-5(4-9)2-1-3-8-6;;;;;;;;/h3-5,9-10,15-16,23-24,32H,2,6-8,11-14,17-20H2,1H3,(H,30,34);13-14,18H,6-12,15H2,1-5H3;11-12,16H,5-10,13H2,1-4H3,(H,24,25);9-10,14,22H,4-8,11-12H2,1-3H3,(H,23,24);10-11,15H,3-9,12H2,1-2H3,(H,19,20);6-7,10-12,15H,3-5,8-9H2,1-2H3;3-7,11,15H,2,8-9,14H2,1H3;10H,4-8H2,1-3H3;4,10H,1,5-9H2,2-3H3;1-6H3;1-4H,(H2,7,8);2*1H4;;;;2*1H2;1H/t23?,24-;;;;;;11-;;;;;;;;;;;;/m0.....0............/s1.
What are the key properties of 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane?
2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane has a molecular weight of 3773.48 g/mol, XLogP of 27.27, 75 rotatable bonds, 9 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;4-O-benzyl 1-O-ethyl (2S)-2-[[[2-(hydroxymethyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanoyl]amino]methyl]butanedioate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;diethyl 2-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]propanedioate;diethyl 2-[3-(1,8-naphthyridin-2-yl)propyl]propanedioate;diethyl 2-(4-oxopentyl)propanedioate;diethyl 2-pent-4-enylpropanedioate;diethyl 2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]propanedioate;dioxoplatinum;2-ethoxycarbonyl-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;ethyl (2S)-3-amino-2-(phenacylamino)propanoate;2-(hydroxymethyl)-5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoic acid;methane;molecular hydrogen;sulfane is sourced from PubChem (CID 158462111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).