methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane

C57H108N10O24P2S2 — CID 160888632

About methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane

methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane (PubChem CID 160888632) has the molecular formula C57H108N10O24P2S2 and a molecular weight of 1443.62 g/mol. Its IUPAC name is methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane.

Molecular Properties

• Compound Name: methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane
• PubChem CID: 160888632
• Molecular Formula: C57H108N10O24P2S2
• Molecular Weight: 1443.62 g/mol
• Exact Mass: 1442.65
• IUPAC Name: methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane
• SMILES: C.COCCOCCOC(=O)NCCCCC(NC(=O)OCCOCCOC)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.COCCOCCOC(=O)NCCCCC(NC(=O)OCCOCCOC)C(=O)NCCNC(=O)CCN1C(=O)CC(SC)C1=O.CS.P.P
• InChI: InChI=1S/C28H49N5O12S.C27H45N5O12.CH4S.CH4.2H3P/c1-40-12-14-42-16-18-44-27(38)31-8-5-4-6-21(32-28(39)45-19-17-43-15-13-41-2)25(36)30-10-9-29-23(34)7-11-33-24(35)20-22(46-3)26(33)37;1-39-13-15-41-17-19-43-26(37)30-9-4-3-5-21(31-27(38)44-20-18-42-16-14-40-2)25(36)29-11-10-28-22(33)8-12-32-23(34)6-7-24(32)35;1-2;;;/h21-22H,4-20H2,1-3H3,(H,29,34)(H,30,36)(H,31,38)(H,32,39);6-7,21H,3-5,8-20H2,1-2H3,(H,28,33)(H,29,36)(H,30,37)(H,31,38);2H,1H3;1H4;2*1H3
• InChIKey: SNYUWBBAFVIJGD-UHFFFAOYSA-N
• XLogP: -0.43
• TPSA: 418.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 51
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.62
LogP ≤ 5	-0.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane?

The IUPAC name of methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane (CID 160888632) is methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane.

What is the SMILES notation for methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane?

The canonical SMILES for methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane is C.COCCOCCOC(=O)NCCCCC(NC(=O)OCCOCCOC)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.COCCOCCOC(=O)NCCCCC(NC(=O)OCCOCCOC)C(=O)NCCNC(=O)CCN1C(=O)CC(SC)C1=O.CS.P.P.

What is the InChIKey of methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane?

The InChIKey is SNYUWBBAFVIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49N5O12S.C27H45N5O12.CH4S.CH4.2H3P/c1-40-12-14-42-16-18-44-27(38)31-8-5-4-6-21(32-28(39)45-19-17-43-15-13-41-2)25(36)30-10-9-29-23(34)7-11-33-24(35)20-22(46-3)26(33)37;1-39-13-15-41-17-19-43-26(37)30-9-4-3-5-21(31-27(38)44-20-18-42-16-14-40-2)25(36)29-11-10-28-22(33)8-12-32-23(34)6-7-24(32)35;1-2;;;/h21-22H,4-20H2,1-3H3,(H,29,34)(H,30,36)(H,31,38)(H,32,39);6-7,21H,3-5,8-20H2,1-2H3,(H,28,33)(H,29,36)(H,30,37)(H,31,38);2H,1H3;1H4;2*1H3.

What are the key properties of methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane?

methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane has a molecular weight of 1443.62 g/mol, XLogP of -0.43, 51 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methanethiol;2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate;2-(2-methoxyethoxy)ethyl N-[6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]-1-oxohexan-2-yl]carbamate;phosphane is sourced from PubChem (CID 160888632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).