(5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide

C88H141N13O34S3 — CID 161142097

About (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide

(5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 161142097) has the molecular formula C88H141N13O34S3 and a molecular weight of 2021.35 g/mol. Its IUPAC name is (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide
• PubChem CID: 161142097
• Molecular Formula: C88H141N13O34S3
• Molecular Weight: 2021.35 g/mol
• Exact Mass: 2019.89
• IUPAC Name: (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide
• SMILES: CCC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCCC(=O)COC)C(C)=O.COCC(=O)NCCCC[C@H](NC(=O)COC)C(=O)NCC(C)=O.COCCNC(=O)CCN1C(=O)CC(SC[C@H](NC(C)=O)C(=O)CCC(=O)N[C@@H](CSC2CC(=O)N(CCC(=O)NCCOC)C2=O)C(=O)CCC(=O)N[C@@H](CSC2CC(=O)N(CCC(=O)NCCOC)C2=O)C(=O)CCC(C)=O)C1=O
• InChI: InChI=1S/C51H75N9O19S3.C22H39NO9.C15H27N3O6/c1-30(61)6-7-35(63)33(28-81-39-25-47(72)59(50(39)75)19-13-42(67)53-16-22-78-4)56-45(70)11-9-37(65)34(29-82-40-26-48(73)60(51(40)76)20-14-43(68)54-17-23-79-5)57-44(69)10-8-36(64)32(55-31(2)62)27-80-38-24-46(71)58(49(38)74)18-12-41(66)52-15-21-77-3;1-4-19(25)16-21(18(2)24)23-22(27)7-9-30-11-13-32-15-14-31-12-10-29-8-5-6-20(26)17-28-3;1-11(19)8-17-15(22)12(18-14(21)10-24-3)6-4-5-7-16-13(20)9-23-2/h32-34,38-40H,6-29H2,1-5H3,(H,52,66)(H,53,67)(H,54,68)(H,55,62)(H,56,70)(H,57,69);21H,4-17H2,1-3H3,(H,23,27);12H,4-10H2,1-3H3,(H,16,20)(H,17,22)(H,18,21)/t32-,33-,34-,38?,39?,40?;21-;12-/m000/s1
• InChIKey: UNORLELNGJYJHO-OYVIMQRDSA-N
• XLogP: -3.22
• TPSA: 632.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 78
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.35
LogP ≤ 5	-3.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide?

The IUPAC name of (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide (CID 161142097) is (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide.

What is the SMILES notation for (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide?

The canonical SMILES for (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide is CCC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCCC(=O)COC)C(C)=O.COCC(=O)NCCCC[C@H](NC(=O)COC)C(=O)NCC(C)=O.COCCNC(=O)CCN1C(=O)CC(SC[C@H](NC(C)=O)C(=O)CCC(=O)N[C@@H](CSC2CC(=O)N(CCC(=O)NCCOC)C2=O)C(=O)CCC(=O)N[C@@H](CSC2CC(=O)N(CCC(=O)NCCOC)C2=O)C(=O)CCC(C)=O)C1=O.

What is the InChIKey of (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide?

The InChIKey is UNORLELNGJYJHO-OYVIMQRDSA-N. The full InChI is InChI=1S/C51H75N9O19S3.C22H39NO9.C15H27N3O6/c1-30(61)6-7-35(63)33(28-81-39-25-47(72)59(50(39)75)19-13-42(67)53-16-22-78-4)56-45(70)11-9-37(65)34(29-82-40-26-48(73)60(51(40)76)20-14-43(68)54-17-23-79-5)57-44(69)10-8-36(64)32(55-31(2)62)27-80-38-24-46(71)58(49(38)74)18-12-41(66)52-15-21-77-3;1-4-19(25)16-21(18(2)24)23-22(27)7-9-30-11-13-32-15-14-31-12-10-29-8-5-6-20(26)17-28-3;1-11(19)8-17-15(22)12(18-14(21)10-24-3)6-4-5-7-16-13(20)9-23-2/h32-34,38-40H,6-29H2,1-5H3,(H,52,66)(H,53,67)(H,54,68)(H,55,62)(H,56,70)(H,57,69);21H,4-17H2,1-3H3,(H,23,27);12H,4-10H2,1-3H3,(H,16,20)(H,17,22)(H,18,21)/t32-,33-,34-,38?,39?,40?;21-;12-/m000/s1.

What are the key properties of (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide?

(5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 2021.35 g/mol, XLogP of -3.22, 78 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-acetamido-6-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-[[(2R)-1-[1-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-3,6-dioxoheptan-2-yl]amino]-3,6-dioxohexan-2-yl]-4-oxohexanamide;(2S)-2,6-bis[(2-methoxyacetyl)amino]-N-(2-oxopropyl)hexanamide;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 161142097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).