bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate

C192H308N32O48 — CID 161405444

IUPACbis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate
SMILESCC(C)NC(=O)N(C)CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)C.CCN(CC)C(=O)NCCCOC(=O)/C=C/C(=O)OCCCNC(=O)N(CC)CC.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.O=C(/C=C/C(=O)OCCCNC(=O)N1CCCCC1)OCCCNC(=O)N1CCCCC1
InChIInChI=1S/C28H48N4O6.C28H36N4O6.C26H44N4O6.C26H32N4O6.C22H36N4O6.C22H40N4O6.2C20H36N4O6/c2*1-31(27(35)29-21-23-11-5-3-6-12-23)17-9-19-37-25(33)15-16-26(34)38-20-10-18-32(2)28(36)30-22-24-13-7-4-8-14-24;2*1-29(25(33)27-21-11-5-3-6-12-21)17-9-19-35-23(31)15-16-24(32)36-20-10-18-30(2)26(34)28-22-13-7-4-8-14-22;27-19(31-17-7-11-23-21(29)25-13-3-1-4-14-25)9-10-20(28)32-18-8-12-24-22(30)26-15-5-2-6-16-26;1-21(2,3)23-19(29)25(7)13-9-15-31-17(27)11-12-18(28)32-16-10-14-26(8)20(30)24-22(4,5)6;1-15(2)21-19(27)23(5)11-7-13-29-17(25)9-10-18(26)30-14-8-12-24(6)20(28)22-16(3)4;1-5-23(6-2)19(27)21-13-9-15-29-17(25)11-12-18(26)30-16-10-14-22-20(28)24(7-3)8-4/h15-16,23-24H,3-14,17-22H2,1-2H3,(H,29,35)(H,30,36);3-8,11-16H,9-10,17-22H2,1-2H3,(H,29,35)(H,30,36);15-16,21-22H,3-14,17-20H2,1-2H3,(H,27,33)(H,28,34);3-8,11-16H,9-10,17-20H2,1-2H3,(H,27,33)(H,28,34);9-10H,1-8,11-18H2,(H,23,29)(H,24,30);11-12H,9-10,13-16H2,1-8H3,(H,23,29)(H,24,30);9-10,15-16H,7-8,11-14H2,1-6H3,(H,21,27)(H,22,28);11-12H,5-10,13-16H2,1-4H3,(H,21,27)(H,22,28)/b4*16-15+;10-9+;12-11+;10-9+;12-11+
InChIKeyVUTXKNGWQSFTLP-YQGLRUIJSA-N
MW3832.75 g/mol
LogP21.15
Rot. Bonds98

About bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate

bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate (PubChem CID 161405444) has the molecular formula C192H308N32O48 and a molecular weight of 3832.75 g/mol. Its IUPAC name is bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate.

Molecular Properties

Compound Namebis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate
PubChem CID161405444
Molecular FormulaC192H308N32O48
Molecular Weight3832.75 g/mol
Exact Mass3830.26
IUPAC Namebis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate
SMILESCC(C)NC(=O)N(C)CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)C.CCN(CC)C(=O)NCCCOC(=O)/C=C/C(=O)OCCCNC(=O)N(CC)CC.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.O=C(/C=C/C(=O)OCCCNC(=O)N1CCCCC1)OCCCNC(=O)N1CCCCC1
InChIInChI=1S/C28H48N4O6.C28H36N4O6.C26H44N4O6.C26H32N4O6.C22H36N4O6.C22H40N4O6.2C20H36N4O6/c2*1-31(27(35)29-21-23-11-5-3-6-12-23)17-9-19-37-25(33)15-16-26(34)38-20-10-18-32(2)28(36)30-22-24-13-7-4-8-14-24;2*1-29(25(33)27-21-11-5-3-6-12-21)17-9-19-35-23(31)15-16-24(32)36-20-10-18-30(2)26(34)28-22-13-7-4-8-14-22;27-19(31-17-7-11-23-21(29)25-13-3-1-4-14-25)9-10-20(28)32-18-8-12-24-22(30)26-15-5-2-6-16-26;1-21(2,3)23-19(29)25(7)13-9-15-31-17(27)11-12-18(28)32-16-10-14-26(8)20(30)24-22(4,5)6;1-15(2)21-19(27)23(5)11-7-13-29-17(25)9-10-18(26)30-14-8-12-24(6)20(28)22-16(3)4;1-5-23(6-2)19(27)21-13-9-15-29-17(25)11-12-18(26)30-16-10-14-22-20(28)24(7-3)8-4/h15-16,23-24H,3-14,17-22H2,1-2H3,(H,29,35)(H,30,36);3-8,11-16H,9-10,17-22H2,1-2H3,(H,29,35)(H,30,36);15-16,21-22H,3-14,17-20H2,1-2H3,(H,27,33)(H,28,34);3-8,11-16H,9-10,17-20H2,1-2H3,(H,27,33)(H,28,34);9-10H,1-8,11-18H2,(H,23,29)(H,24,30);11-12H,9-10,13-16H2,1-8H3,(H,23,29)(H,24,30);9-10,15-16H,7-8,11-14H2,1-6H3,(H,21,27)(H,22,28);11-12H,5-10,13-16H2,1-4H3,(H,21,27)(H,22,28)/b4*16-15+;10-9+;12-11+;10-9+;12-11+
InChIKeyVUTXKNGWQSFTLP-YQGLRUIJSA-N
XLogP21.15
TPSA938.24 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds98
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003832.75
LogP ≤ 521.15
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate?
The IUPAC name of bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate (CID 161405444) is bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate.
What is the SMILES notation for bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate?
The canonical SMILES for bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate is CC(C)NC(=O)N(C)CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)C.CCN(CC)C(=O)NCCCOC(=O)/C=C/C(=O)OCCCNC(=O)N(CC)CC.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.O=C(/C=C/C(=O)OCCCNC(=O)N1CCCCC1)OCCCNC(=O)N1CCCCC1.
What is the InChIKey of bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate?
The InChIKey is VUTXKNGWQSFTLP-YQGLRUIJSA-N. The full InChI is InChI=1S/C28H48N4O6.C28H36N4O6.C26H44N4O6.C26H32N4O6.C22H36N4O6.C22H40N4O6.2C20H36N4O6/c2*1-31(27(35)29-21-23-11-5-3-6-12-23)17-9-19-37-25(33)15-16-26(34)38-20-10-18-32(2)28(36)30-22-24-13-7-4-8-14-24;2*1-29(25(33)27-21-11-5-3-6-12-21)17-9-19-35-23(31)15-16-24(32)36-20-10-18-30(2)26(34)28-22-13-7-4-8-14-22;27-19(31-17-7-11-23-21(29)25-13-3-1-4-14-25)9-10-20(28)32-18-8-12-24-22(30)26-15-5-2-6-16-26;1-21(2,3)23-19(29)25(7)13-9-15-31-17(27)11-12-18(28)32-16-10-14-26(8)20(30)24-22(4,5)6;1-15(2)21-19(27)23(5)11-7-13-29-17(25)9-10-18(26)30-14-8-12-24(6)20(28)22-16(3)4;1-5-23(6-2)19(27)21-13-9-15-29-17(25)11-12-18(26)30-16-10-14-22-20(28)24(7-3)8-4/h15-16,23-24H,3-14,17-22H2,1-2H3,(H,29,35)(H,30,36);3-8,11-16H,9-10,17-22H2,1-2H3,(H,29,35)(H,30,36);15-16,21-22H,3-14,17-20H2,1-2H3,(H,27,33)(H,28,34);3-8,11-16H,9-10,17-20H2,1-2H3,(H,27,33)(H,28,34);9-10H,1-8,11-18H2,(H,23,29)(H,24,30);11-12H,9-10,13-16H2,1-8H3,(H,23,29)(H,24,30);9-10,15-16H,7-8,11-14H2,1-6H3,(H,21,27)(H,22,28);11-12H,5-10,13-16H2,1-4H3,(H,21,27)(H,22,28)/b4*16-15+;10-9+;12-11+;10-9+;12-11+.
What are the key properties of bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate?
bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate has a molecular weight of 3832.75 g/mol, XLogP of 21.15, 98 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate is sourced from PubChem (CID 161405444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).