3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid

C165H220F4N30O32 — CID 162037756

IUPAC3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid
SMILESC.C.C.C.C.O=C(O)C(F)(F)C(OO)=C(F)F.[H]/N=C(\N)c1ccc(/C=C/C(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(/C=C/C(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1
InChIInChI=1S/C28H37N5O5.C28H35N5O5.C26H33N5O5.C26H31N5O5.C25H33N5O4.C23H29N5O4.C4H2F4O4.5CH4/c2*1-3-36-26(34)11-8-20-4-5-22(27(30)31)18-25(20)37-17-14-32-28(35)21-6-9-23(10-7-21)38-24-12-15-33(16-13-24)19(2)29;2*1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33;1-2-33-23(31)6-5-18-3-4-20(24(26)27)17-22(18)34-16-13-29-25(32)19-9-14-30(15-10-19)21-7-11-28-12-8-21;24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19;5-2(6)1(12-11)4(7,8)3(9)10;;;;;/h4-7,9-10,18,24,29H,3,8,11-17H2,1-2H3,(H3,30,31)(H,32,35);4-11,18,24,29H,3,12-17H2,1-2H3,(H3,30,31)(H,32,35);2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);2-9,16,22,27H,10-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);3-4,7-8,11-12,17,19H,2,5-6,9-10,13-16H2,1H3,(H3,26,27)(H,29,32);1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30);11H,(H,9,10);5*1H4/b29-19+;11-8+,29-19+;27-17+;9-6+,27-17+;;;;;;;;
InChIKeyYWWHYWSYCJJFFH-HMOXSVIYSA-N
MW3211.74 g/mol
LogP20.22
Rot. Bonds68

About 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid

3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid (PubChem CID 162037756) has the molecular formula C165H220F4N30O32 and a molecular weight of 3211.74 g/mol. Its IUPAC name is 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid.

Molecular Properties

Compound Name3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid
PubChem CID162037756
Molecular FormulaC165H220F4N30O32
Molecular Weight3211.74 g/mol
Exact Mass3209.64
IUPAC Name3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid
SMILESC.C.C.C.C.O=C(O)C(F)(F)C(OO)=C(F)F.[H]/N=C(\N)c1ccc(/C=C/C(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(/C=C/C(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1
InChIInChI=1S/C28H37N5O5.C28H35N5O5.C26H33N5O5.C26H31N5O5.C25H33N5O4.C23H29N5O4.C4H2F4O4.5CH4/c2*1-3-36-26(34)11-8-20-4-5-22(27(30)31)18-25(20)37-17-14-32-28(35)21-6-9-23(10-7-21)38-24-12-15-33(16-13-24)19(2)29;2*1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33;1-2-33-23(31)6-5-18-3-4-20(24(26)27)17-22(18)34-16-13-29-25(32)19-9-14-30(15-10-19)21-7-11-28-12-8-21;24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19;5-2(6)1(12-11)4(7,8)3(9)10;;;;;/h4-7,9-10,18,24,29H,3,8,11-17H2,1-2H3,(H3,30,31)(H,32,35);4-11,18,24,29H,3,12-17H2,1-2H3,(H3,30,31)(H,32,35);2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);2-9,16,22,27H,10-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);3-4,7-8,11-12,17,19H,2,5-6,9-10,13-16H2,1H3,(H3,26,27)(H,29,32);1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30);11H,(H,9,10);5*1H4/b29-19+;11-8+,29-19+;27-17+;9-6+,27-17+;;;;;;;;
InChIKeyYWWHYWSYCJJFFH-HMOXSVIYSA-N
XLogP20.22
TPSA964.30 Ų
H-Bond Donors27
H-Bond Acceptors42
Rotatable Bonds68
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003211.74
LogP ≤ 520.22
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid
CID 159266479
3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]acetamide;N-[2-[5-carbamimidoyl-2-(3-oxobutyl)phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide;4-piperidin-1-ylpyridine
CID 160834379
N-[2-[5-carbamimidoyl-2-[(E)-3-oxobut-1-enyl]phenoxy]ethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide
CID 22083118
3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]-2-oxopropanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 87591095
ethyl (E)-3-[4-cyano-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]prop-2-enoate
CID 11059383
methyl 4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]benzoate
CID 15486827
(E)-3-[1-amino-7-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]isoquinolin-6-yl]prop-2-enoic acid
CID 22631379
2-(3-carbamimidoylphenoxy)ethyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159663730
2-[4-carbamimidoyl-2-[2-[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]oxyethoxy]phenoxy]acetic acid
CID 11648982
3-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]propanoic acid;dihydrochloride
CID 139881447
methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate;dihydrochloride
CID 19391280
1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
CID 59749324

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid?
The IUPAC name of 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid (CID 162037756) is 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid.
What is the SMILES notation for 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid?
The canonical SMILES for 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid is C.C.C.C.C.O=C(O)C(F)(F)C(OO)=C(F)F.[H]/N=C(\N)c1ccc(/C=C/C(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(/C=C/C(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)O)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)C2CCN(c3ccncc3)CC2)c1.[H]/N=C(\N)c1ccc(CCC(=O)OCC)c(OCCNC(=O)c2ccc(OC3CCN(/C(C)=N/[H])CC3)cc2)c1.
What is the InChIKey of 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid?
The InChIKey is YWWHYWSYCJJFFH-HMOXSVIYSA-N. The full InChI is InChI=1S/C28H37N5O5.C28H35N5O5.C26H33N5O5.C26H31N5O5.C25H33N5O4.C23H29N5O4.C4H2F4O4.5CH4/c2*1-3-36-26(34)11-8-20-4-5-22(27(30)31)18-25(20)37-17-14-32-28(35)21-6-9-23(10-7-21)38-24-12-15-33(16-13-24)19(2)29;2*1-17(27)31-13-10-22(11-14-31)36-21-7-4-19(5-8-21)26(34)30-12-15-35-23-16-20(25(28)29)3-2-18(23)6-9-24(32)33;1-2-33-23(31)6-5-18-3-4-20(24(26)27)17-22(18)34-16-13-29-25(32)19-9-14-30(15-10-19)21-7-11-28-12-8-21;24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19;5-2(6)1(12-11)4(7,8)3(9)10;;;;;/h4-7,9-10,18,24,29H,3,8,11-17H2,1-2H3,(H3,30,31)(H,32,35);4-11,18,24,29H,3,12-17H2,1-2H3,(H3,30,31)(H,32,35);2-5,7-8,16,22,27H,6,9-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);2-9,16,22,27H,10-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);3-4,7-8,11-12,17,19H,2,5-6,9-10,13-16H2,1H3,(H3,26,27)(H,29,32);1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30);11H,(H,9,10);5*1H4/b29-19+;11-8+,29-19+;27-17+;9-6+,27-17+;;;;;;;;.
What are the key properties of 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid?
3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid has a molecular weight of 3211.74 g/mol, XLogP of 20.22, 68 rotatable bonds, 27 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoic acid;(E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoic acid;3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoic acid;ethyl 3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]propanoate;ethyl (E)-3-[4-carbamimidoyl-2-[2-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]ethoxy]phenyl]prop-2-enoate;ethyl 3-[4-carbamimidoyl-2-[2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]ethoxy]phenyl]propanoate;methane;2,2,4,4-tetrafluoro-3-hydroperoxybut-3-enoic acid is sourced from PubChem (CID 162037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).