(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol

C179H230ClFN24O62S7Si3 — CID 159640334

IUPAC(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol
SMILESC=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO[Si](C)(C)C(C)(C)C)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)O)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)OC)cc3OC)cc2[N+](=O)[O-])C1.O=C(Cl)OCCSSc1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(SSCCO)nc1.O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1.OCCS.[2H]CF
InChIInChI=1S/C40H54N4O13Si.C39H52N4O13Si.C39H54N4O12Si.C33H40N4O12.C10H6N4O4S2.C8H7ClN2O4S2.C7H8N2O3S2.C2H6OS.CH3F/c1-25-16-27(24-57-58(9,10)40(3,4)5)41(22-25)37(45)28-18-33(52-6)35(20-30(28)43(48)49)55-14-12-11-13-15-56-36-21-31(44(50)51)29(19-34(36)53-7)38(46)42-23-26(2)17-32(42)39(47)54-8;1-24-15-26(23-56-57(8,9)39(3,4)5)40(21-24)36(44)27-17-32(52-6)34(19-29(27)42(48)49)54-13-11-10-12-14-55-35-20-30(43(50)51)28(18-33(35)53-7)37(45)41-22-25(2)16-31(41)38(46)47;1-25-15-27(23-44)40(21-25)37(45)29-17-33(51-6)35(19-31(29)42(47)48)53-13-11-10-12-14-54-36-20-32(43(49)50)30(18-34(36)52-7)38(46)41-22-26(2)16-28(41)24-55-56(8,9)39(3,4)5;1-20-10-22(18-38)34(16-20)32(40)24-12-28(46-3)30(14-26(24)36(42)43)48-8-6-5-7-9-49-31-15-27(37(44)45)25(13-29(31)47-4)33(41)35-17-21(2)11-23(35)19-39;15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18;9-8(12)15-3-4-16-17-7-2-1-6(5-10-7)11(13)14;10-3-4-13-14-7-2-1-6(5-8-7)9(11)12;3-1-2-4;1-2/h18-21,27,32H,1-2,11-17,22-24H2,3-10H3;17-20,26,31H,1-2,10-16,21-23H2,3-9H3,(H,46,47);17-20,27-28,44H,1-2,10-16,21-24H2,3-9H3;12-15,22-23,38-39H,1-2,5-11,16-19H2,3-4H3;1-6H;1-2,5H,3-4H2;1-2,5,10H,3-4H2;3-4H,1-2H2;1H3/t27-,32-;26-,31-;27-,28-;22-,23-;;;;;/m0000...../s1/i;;;;;;;;1D
InChIKeyMQGRNSGHHIIUOU-YOKBEBROSA-N
MW4074.10 g/mol
LogP32.47
Rot. Bonds87

About (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol

(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol (PubChem CID 159640334) has the molecular formula C179H230ClFN24O62S7Si3 and a molecular weight of 4074.10 g/mol. Its IUPAC name is (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol.

Molecular Properties

Compound Name(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol
PubChem CID159640334
Molecular FormulaC179H230ClFN24O62S7Si3
Molecular Weight4074.10 g/mol
Exact Mass4070.27
IUPAC Name(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol
SMILESC=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO[Si](C)(C)C(C)(C)C)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)O)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)OC)cc3OC)cc2[N+](=O)[O-])C1.O=C(Cl)OCCSSc1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(SSCCO)nc1.O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1.OCCS.[2H]CF
InChIInChI=1S/C40H54N4O13Si.C39H52N4O13Si.C39H54N4O12Si.C33H40N4O12.C10H6N4O4S2.C8H7ClN2O4S2.C7H8N2O3S2.C2H6OS.CH3F/c1-25-16-27(24-57-58(9,10)40(3,4)5)41(22-25)37(45)28-18-33(52-6)35(20-30(28)43(48)49)55-14-12-11-13-15-56-36-21-31(44(50)51)29(19-34(36)53-7)38(46)42-23-26(2)17-32(42)39(47)54-8;1-24-15-26(23-56-57(8,9)39(3,4)5)40(21-24)36(44)27-17-32(52-6)34(19-29(27)42(48)49)54-13-11-10-12-14-55-35-20-30(43(50)51)28(18-33(35)53-7)37(45)41-22-25(2)16-31(41)38(46)47;1-25-15-27(23-44)40(21-25)37(45)29-17-33(51-6)35(19-31(29)42(47)48)53-13-11-10-12-14-54-36-20-32(43(49)50)30(18-34(36)52-7)38(46)41-22-26(2)16-28(41)24-55-56(8,9)39(3,4)5;1-20-10-22(18-38)34(16-20)32(40)24-12-28(46-3)30(14-26(24)36(42)43)48-8-6-5-7-9-49-31-15-27(37(44)45)25(13-29(31)47-4)33(41)35-17-21(2)11-23(35)19-39;15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18;9-8(12)15-3-4-16-17-7-2-1-6(5-10-7)11(13)14;10-3-4-13-14-7-2-1-6(5-8-7)9(11)12;3-1-2-4;1-2/h18-21,27,32H,1-2,11-17,22-24H2,3-10H3;17-20,26,31H,1-2,10-16,21-23H2,3-9H3,(H,46,47);17-20,27-28,44H,1-2,10-16,21-24H2,3-9H3;12-15,22-23,38-39H,1-2,5-11,16-19H2,3-4H3;1-6H;1-2,5H,3-4H2;1-2,5,10H,3-4H2;3-4H,1-2H2;1H3/t27-,32-;26-,31-;27-,28-;22-,23-;;;;;/m0000...../s1/i;;;;;;;;1D
InChIKeyMQGRNSGHHIIUOU-YOKBEBROSA-N
XLogP32.47
TPSA1098.14 Ų
H-Bond Donors7
H-Bond Acceptors72
Rotatable Bonds87
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004074.10
LogP ≤ 532.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1072

Analyze (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone
CID 158105534
2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl (3aR,4S)-7-[5-[[(6aS)-2-methoxy-8-methylidene-6,11-dioxo-5,6a,7,9-tetrahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-4-hydroxy-8-methyl-2-methylidene-10-oxo-3,3a,4,10a-tetrahydro-1H-cyclopenta[c][1]benzazepine-5-carboxylate;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl N-[5-[5-[[(6aS)-2-methoxy-8-methylidene-6,11-dioxo-5,6a,7,9-tetrahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl N-[5-[5-[[(6aS)-2-methoxy-8-methylidene-6,11-dioxo-5,6a,7,9-tetrahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-2-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 158101963
N-[2-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-5-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-[[1-[(5-nitro-2-pyridinyl)disulfanyl]cyclobutyl]methoxycarbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]-methylboronamidic acid
CID 154612651
[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidin-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone
CID 151443096
tert-butyl N-[2-[(2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carbonyl]-5-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-[[(2R)-2-[(5-nitro-2-pyridinyl)disulfanyl]propoxy]carbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]carbamate
CID 126757664
[5-[3-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxyphenoxy]propoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl] carbamate
CID 175161312
[1-[(5-nitro-2-pyridinyl)disulfanyl]cyclopropyl]methyl N-[5-[5-[[(6aS)-2-methoxy-8-methylidene-6,11-dioxo-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 126757681
N-[5-[5-[5-amino-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenecyclopentanecarbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2R)-2-ethyl-4-methylidenecyclopentanecarbonyl]-4-methoxyphenyl]-methylboronamidic acid;N-[5-[5-[4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenecyclopentanecarbonyl]-2-methoxy-5-[[(2S)-2-[(5-nitro-2-pyridinyl)disulfanyl]propoxy]carbonylamino]phenoxy]pentoxy]-2-[(2R)-2-ethyl-4-methylidenecyclopentanecarbonyl]-4-methoxyphenyl]-methylboronamidic acid;N-[2-[(2R)-2-(hydroxymethyl)-4-methylidenecyclopentanecarbonyl]-5-[5-[4-[(2R)-2-(hydroxymethyl)-4-methylidenecyclopentanecarbonyl]-2-methoxy-5-[[(2S)-2-[(5-nitro-2-pyridinyl)disulfanyl]propoxy]carbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]-methylboronamidic acid;(2S)-2-[(5-nitro-2-pyridinyl)disulfanyl]propan-1-ol;[(2S)-2-[(5-nitro-2-pyridinyl)disulfanyl]propyl] carbonochloridate
CID 159323686
[(2S)-1-(4-butoxy-5-methoxy-2-nitrobenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
CID 156673663
tert-butyl N-[5-[5-[5-amino-4-[(2R)-2-ethyl-4-methylidenepyrrolidine-1-carbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 157411418
[(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butyl] (6S,6aS)-3-[5-[[(6R,6aS)-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butyl] N-[2-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-5-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]carbamate
CID 159511528
(2S)-1-(4-butoxy-5-methoxy-2-nitrobenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one;(4-butoxy-5-methoxy-2-nitrophenyl)-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]methanone
CID 165029401

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol?
The IUPAC name of (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol (CID 159640334) is (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol.
What is the SMILES notation for (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol?
The canonical SMILES for (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol is C=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4CO[Si](C)(C)C(C)(C)C)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)O)cc3OC)cc2[N+](=O)[O-])C1.C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)c2cc(OC)c(OCCCCCOc3cc([N+](=O)[O-])c(C(=O)N4CC(=C)C[C@H]4C(=O)OC)cc3OC)cc2[N+](=O)[O-])C1.O=C(Cl)OCCSSc1ccc([N+](=O)[O-])cn1.O=[N+]([O-])c1ccc(SSCCO)nc1.O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1.OCCS.[2H]CF.
What is the InChIKey of (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol?
The InChIKey is MQGRNSGHHIIUOU-YOKBEBROSA-N. The full InChI is InChI=1S/C40H54N4O13Si.C39H52N4O13Si.C39H54N4O12Si.C33H40N4O12.C10H6N4O4S2.C8H7ClN2O4S2.C7H8N2O3S2.C2H6OS.CH3F/c1-25-16-27(24-57-58(9,10)40(3,4)5)41(22-25)37(45)28-18-33(52-6)35(20-30(28)43(48)49)55-14-12-11-13-15-56-36-21-31(44(50)51)29(19-34(36)53-7)38(46)42-23-26(2)17-32(42)39(47)54-8;1-24-15-26(23-56-57(8,9)39(3,4)5)40(21-24)36(44)27-17-32(52-6)34(19-29(27)42(48)49)54-13-11-10-12-14-55-35-20-30(43(50)51)28(18-33(35)53-7)37(45)41-22-25(2)16-31(41)38(46)47;1-25-15-27(23-44)40(21-25)37(45)29-17-33(51-6)35(19-31(29)42(47)48)53-13-11-10-12-14-54-36-20-32(43(49)50)30(18-34(36)52-7)38(46)41-22-26(2)16-28(41)24-55-56(8,9)39(3,4)5;1-20-10-22(18-38)34(16-20)32(40)24-12-28(46-3)30(14-26(24)36(42)43)48-8-6-5-7-9-49-31-15-27(37(44)45)25(13-29(31)47-4)33(41)35-17-21(2)11-23(35)19-39;15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18;9-8(12)15-3-4-16-17-7-2-1-6(5-10-7)11(13)14;10-3-4-13-14-7-2-1-6(5-8-7)9(11)12;3-1-2-4;1-2/h18-21,27,32H,1-2,11-17,22-24H2,3-10H3;17-20,26,31H,1-2,10-16,21-23H2,3-9H3,(H,46,47);17-20,27-28,44H,1-2,10-16,21-24H2,3-9H3;12-15,22-23,38-39H,1-2,5-11,16-19H2,3-4H3;1-6H;1-2,5H,3-4H2;1-2,5,10H,3-4H2;3-4H,1-2H2;1H3/t27-,32-;26-,31-;27-,28-;22-,23-;;;;;/m0000...../s1/i;;;;;;;;1D.
What are the key properties of (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol?
(2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol has a molecular weight of 4074.10 g/mol, XLogP of 32.47, 87 rotatable bonds, 7 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylic acid;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;deuterio(fluoro)methane;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;methyl (2S)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidine-2-carboxylate;5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine;2-[(5-nitro-2-pyridinyl)disulfanyl]ethanol;2-[(5-nitro-2-pyridinyl)disulfanyl]ethyl carbonochloridate;2-sulfanylethanol is sourced from PubChem (CID 159640334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).