2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal

C53H88N8O18S — CID 143667086

About 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal

2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal (PubChem CID 143667086) has the molecular formula C53H88N8O18S and a molecular weight of 1157.39 g/mol. Its IUPAC name is 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal.

Molecular Properties

• Compound Name: 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal
• PubChem CID: 143667086
• Molecular Formula: C53H88N8O18S
• Molecular Weight: 1157.39 g/mol
• Exact Mass: 1156.59
• IUPAC Name: 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal
• SMILES: C=CC(=O)OCCOC(=O)NCCCCCC(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NCC(=O)NCC(=O)OC(C)(C)C.C=CC=O.CC(=O)OC(C)(C)C.COCCOC(N)=O
• InChI: InChI=1S/C40H63N7O12S.C6H12O2.C4H9NO3.C3H4O/c1-10-32(50)56-21-22-57-38(53)43-19-13-11-12-16-30(48)46-29(36(52)45-23-31(49)44-24-33(51)58-39(5,6)7)15-14-20-42-37(41)47-60(54,55)35-26(3)25(2)34-28(27(35)4)17-18-40(8,9)59-34;1-5(7)8-6(2,3)4;1-7-2-3-8-4(5)6;1-2-3-4/h10,29H,1,11-24H2,2-9H3,(H,43,53)(H,44,49)(H,45,52)(H,46,48)(H3,41,42,47);1-4H3;2-3H2,1H3,(H2,5,6);2-3H,1H2/t29-;;;/m0.../s1
• InChIKey: NKTNVPIAXLDCSQ-VYEUTZPBSA-N
• XLogP: 3.61
• TPSA: 376.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.39
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal?

The IUPAC name of 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal (CID 143667086) is 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal.

What is the SMILES notation for 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal?

The canonical SMILES for 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal is C=CC(=O)OCCOC(=O)NCCCCCC(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NCC(=O)NCC(=O)OC(C)(C)C.C=CC=O.CC(=O)OC(C)(C)C.COCCOC(N)=O.

What is the InChIKey of 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal?

The InChIKey is NKTNVPIAXLDCSQ-VYEUTZPBSA-N. The full InChI is InChI=1S/C40H63N7O12S.C6H12O2.C4H9NO3.C3H4O/c1-10-32(50)56-21-22-57-38(53)43-19-13-11-12-16-30(48)46-29(36(52)45-23-31(49)44-24-33(51)58-39(5,6)7)15-14-20-42-37(41)47-60(54,55)35-26(3)25(2)34-28(27(35)4)17-18-40(8,9)59-34;1-5(7)8-6(2,3)4;1-7-2-3-8-4(5)6;1-2-3-4/h10,29H,1,11-24H2,2-9H3,(H,43,53)(H,44,49)(H,45,52)(H,46,48)(H3,41,42,47);1-4H3;2-3H2,1H3,(H2,5,6);2-3H,1H2/t29-;;;/m0.../s1.

What are the key properties of 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal?

2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal has a molecular weight of 1157.39 g/mol, XLogP of 3.61, 26 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-1-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyloxy]ethyl prop-2-enoate;tert-butyl acetate;2-methoxyethyl carbamate;prop-2-enal is sourced from PubChem (CID 143667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).