(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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide

C105H172N12O40S4 — CID 158133370

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide

(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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide (PubChem CID 158133370) has the molecular formula C105H172N12O40S4 and a molecular weight of 2370.84 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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide.

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide
• PubChem CID: 158133370
• Molecular Formula: C105H172N12O40S4
• Molecular Weight: 2370.84 g/mol
• Exact Mass: 2369.07
• 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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide
• SMILES: CCC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCCC(=O)COC)C(C)=O.CNC(=O)C[C@H](CC(=O)COC)C(=O)NCCOCCOCCC(C)=O.COCCC(C)=O.COCCCC(=O)CSCCC(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.C17H30N2O7.C10H18O3S.C5H10O2/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;1-13(20)4-6-25-8-9-26-7-5-19-17(23)14(11-16(22)18-2)10-15(21)12-24-3;1-9(11)5-7-14-8-10(12)4-3-6-13-2;1-5(6)3-4-7-2/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);14H,4-12H2,1-3H3,(H,18,22)(H,19,23);3-8H2,1-2H3;3-4H2,1-2H3/t32-,33-,34-,38?,39?,40?;21-;14-;;/m000../s1
• InChIKey: FTAZENZHMMPRMF-ZTUVAAPHSA-N
• XLogP: -0.20
• TPSA: 698.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 93
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.84
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide?

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide (CID 158133370) 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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide.

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide?

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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide is CCC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCCC(=O)COC)C(C)=O.CNC(=O)C[C@H](CC(=O)COC)C(=O)NCCOCCOCCC(C)=O.COCCC(C)=O.COCCCC(=O)CSCCC(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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide?

The InChIKey is FTAZENZHMMPRMF-ZTUVAAPHSA-N. The full InChI is InChI=1S/C51H75N9O19S3.C22H39NO9.C17H30N2O7.C10H18O3S.C5H10O2/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;1-13(20)4-6-25-8-9-26-7-5-19-17(23)14(11-16(22)18-2)10-15(21)12-24-3;1-9(11)5-7-14-8-10(12)4-3-6-13-2;1-5(6)3-4-7-2/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);14H,4-12H2,1-3H3,(H,18,22)(H,19,23);3-8H2,1-2H3;3-4H2,1-2H3/t32-,33-,34-,38?,39?,40?;21-;14-;;/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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide?

(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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide has a molecular weight of 2370.84 g/mol, XLogP of -0.20, 93 rotatable bonds, 9 hydrogen bond donors, and 44 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;N-[(3S)-2,5-dioxoheptan-3-yl]-3-[2-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethoxy]ethoxy]propanamide;4-methoxybutan-2-one;5-methoxy-1-(3-oxobutylsulfanyl)pentan-2-one;(2S)-2-(3-methoxy-2-oxopropyl)-N'-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]butanediamide is sourced from PubChem (CID 158133370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).