2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate

C142H236F12N14O51 — CID 159505578

IUPAC2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate
SMILESC/C(N)=N\CCC(F)=C(F)CC(N)C(=O)O.CCOC(=O)C(CC(F)=C(F)CC/N=C(\C)N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CCN)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CCO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCCC(=O)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.[C-]#[N+]CC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H35F2N3O6.C20H33F2NO8.C20H35NO9.C19H28F2N2O6.C19H32F2N2O6.C18H29F2NO7.C16H29NO7.C9H15F2N3O2/c1-9-30-17(27)16(12-15(23)14(22)10-11-25-13(2)24)26(18(28)31-20(3,4)5)19(29)32-21(6,7)8;1-9-27-16(24)15(11-13(21)14(22)12-29-28-10-2)23(17(25)30-19(3,4)5)18(26)31-20(6,7)8;1-9-26-16(23)15(13-14(22)11-12-28-27-10-2)21(17(24)29-19(3,4)5)18(25)30-20(6,7)8;1-9-27-15(24)14(10-12(20)13(21)11-22-8)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-27-15(24)14(11-13(21)12(20)9-10-22)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-26-14(23)13(9-11(19)12(20)10-22)21(15(24)27-17(2,3)4)16(25)28-18(5,6)7;1-8-22-12(19)11(9-10-18)17(13(20)23-15(2,3)4)14(21)24-16(5,6)7;1-5(12)14-3-2-6(10)7(11)4-8(13)9(15)16/h16H,9-12H2,1-8H3,(H2,24,25);15H,9-12H2,1-8H3;15H,9-13H2,1-8H3;14H,9-11H2,1-7H3;14H,8-11,22H2,1-7H3;13,22H,8-10H2,1-7H3;11,18H,8-10H2,1-7H3;8H,2-4,13H2,1H3,(H2,12,14)(H,15,16)
InChIKeyLZYDAKYWZVJZNN-UHFFFAOYSA-N
MW3183.47 g/mol
LogP27.74
Rot. Bonds57

About 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate

2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate (PubChem CID 159505578) has the molecular formula C142H236F12N14O51 and a molecular weight of 3183.47 g/mol. Its IUPAC name is 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate.

Molecular Properties

Compound Name2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate
PubChem CID159505578
Molecular FormulaC142H236F12N14O51
Molecular Weight3183.47 g/mol
Exact Mass3181.61
IUPAC Name2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate
SMILESC/C(N)=N\CCC(F)=C(F)CC(N)C(=O)O.CCOC(=O)C(CC(F)=C(F)CC/N=C(\C)N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CCN)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CCO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCCC(=O)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.[C-]#[N+]CC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H35F2N3O6.C20H33F2NO8.C20H35NO9.C19H28F2N2O6.C19H32F2N2O6.C18H29F2NO7.C16H29NO7.C9H15F2N3O2/c1-9-30-17(27)16(12-15(23)14(22)10-11-25-13(2)24)26(18(28)31-20(3,4)5)19(29)32-21(6,7)8;1-9-27-16(24)15(11-13(21)14(22)12-29-28-10-2)23(17(25)30-19(3,4)5)18(26)31-20(6,7)8;1-9-26-16(23)15(13-14(22)11-12-28-27-10-2)21(17(24)29-19(3,4)5)18(25)30-20(6,7)8;1-9-27-15(24)14(10-12(20)13(21)11-22-8)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-27-15(24)14(11-13(21)12(20)9-10-22)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-26-14(23)13(9-11(19)12(20)10-22)21(15(24)27-17(2,3)4)16(25)28-18(5,6)7;1-8-22-12(19)11(9-10-18)17(13(20)23-15(2,3)4)14(21)24-16(5,6)7;1-5(12)14-3-2-6(10)7(11)4-8(13)9(15)16/h16H,9-12H2,1-8H3,(H2,24,25);15H,9-12H2,1-8H3;15H,9-13H2,1-8H3;14H,9-11H2,1-7H3;14H,8-11,22H2,1-7H3;13,22H,8-10H2,1-7H3;11,18H,8-10H2,1-7H3;8H,2-4,13H2,1H3,(H2,12,14)(H,15,16)
InChIKeyLZYDAKYWZVJZNN-UHFFFAOYSA-N
XLogP27.74
TPSA839.89 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds57
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003183.47
LogP ≤ 527.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (E)-7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate
CID 59883060
ethyl (E)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate
CID 59883076
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate
CID 72586938
ethyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethoxypropanoate
CID 12968906
7-O-tert-butyl 1-O-ethyl (2R,6S)-2-amino-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanedioate
CID 11328976
7-O-tert-butyl 1-O-ethyl (2R,6S)-2-azido-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanedioate
CID 11271997
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
7-O-tert-butyl 1-O-ethyl (6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxyheptanedioate
CID 101202390
tert-butyl N-(2-aminohexanoyl)-N-benzhydrylcarbamate
CID 57224835
methyl (2S)-7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-fluorohept-5-enoate
CID 91226011
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
CID 137499743
tert-butyl (2S,4S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxy-4-methylhexanoate
CID 101425111

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate?
The IUPAC name of 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate (CID 159505578) is 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate.
What is the SMILES notation for 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate?
The canonical SMILES for 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate is C/C(N)=N\CCC(F)=C(F)CC(N)C(=O)O.CCOC(=O)C(CC(F)=C(F)CC/N=C(\C)N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CCN)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CC(F)=C(F)CO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOC(=O)C(CCO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CCOOCCC(=O)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.[C-]#[N+]CC(F)=C(F)CC(C(=O)OCC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate?
The InChIKey is LZYDAKYWZVJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F2N3O6.C20H33F2NO8.C20H35NO9.C19H28F2N2O6.C19H32F2N2O6.C18H29F2NO7.C16H29NO7.C9H15F2N3O2/c1-9-30-17(27)16(12-15(23)14(22)10-11-25-13(2)24)26(18(28)31-20(3,4)5)19(29)32-21(6,7)8;1-9-27-16(24)15(11-13(21)14(22)12-29-28-10-2)23(17(25)30-19(3,4)5)18(26)31-20(6,7)8;1-9-26-16(23)15(13-14(22)11-12-28-27-10-2)21(17(24)29-19(3,4)5)18(25)30-20(6,7)8;1-9-27-15(24)14(10-12(20)13(21)11-22-8)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-27-15(24)14(11-13(21)12(20)9-10-22)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7;1-8-26-14(23)13(9-11(19)12(20)10-22)21(15(24)27-17(2,3)4)16(25)28-18(5,6)7;1-8-22-12(19)11(9-10-18)17(13(20)23-15(2,3)4)14(21)24-16(5,6)7;1-5(12)14-3-2-6(10)7(11)4-8(13)9(15)16/h16H,9-12H2,1-8H3,(H2,24,25);15H,9-12H2,1-8H3;15H,9-13H2,1-8H3;14H,9-11H2,1-7H3;14H,8-11,22H2,1-7H3;13,22H,8-10H2,1-7H3;11,18H,8-10H2,1-7H3;8H,2-4,13H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate?
2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate has a molecular weight of 3183.47 g/mol, XLogP of 27.74, 57 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(1-aminoethylideneamino)-4,5-difluorohept-4-enoic acid;ethyl 7-amino-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 7-(1-aminoethylideneamino)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluorohept-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-hydroxyhex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,5-difluoro-6-isocyanohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4,5-difluorohex-4-enoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-ethylperoxy-4-oxohexanoate;ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxybutanoate is sourced from PubChem (CID 159505578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).