methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C40H61N7O7 — CID 68687036

About methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 68687036) has the molecular formula C40H61N7O7 and a molecular weight of 751.97 g/mol. Its IUPAC name is methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 68687036
• Molecular Formula: C40H61N7O7
• Molecular Weight: 751.97 g/mol
• Exact Mass: 751.46
• IUPAC Name: methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(CC1CC1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O
• InChI: InChI=1S/C40H61N7O7/c1-9-26(2)33(47-21-20-45(38(47)52)24-29-16-13-17-32(41-29)40(6,7)53)35(49)42-30(22-27-14-11-10-12-15-27)31(48)25-46(23-28-18-19-28)44-36(50)34(39(3,4)5)43-37(51)54-8/h10-17,26,28,30-31,33-34,48,53H,9,18-25H2,1-8H3,(H,42,49)(H,43,51)(H,44,50)
• InChIKey: YQMQTZQUKPROGR-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 176.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	751.97
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 68687036) is methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CCC(C)C(C(=O)NC(Cc1ccccc1)C(O)CN(CC1CC1)NC(=O)C(NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O.

What is the InChIKey of methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is YQMQTZQUKPROGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H61N7O7/c1-9-26(2)33(47-21-20-45(38(47)52)24-29-16-13-17-32(41-29)40(6,7)53)35(49)42-30(22-27-14-11-10-12-15-27)31(48)25-46(23-28-18-19-28)44-36(50)34(39(3,4)5)43-37(51)54-8/h10-17,26,28,30-31,33-34,48,53H,9,18-25H2,1-8H3,(H,42,49)(H,43,51)(H,44,50).

What are the key properties of methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 751.97 g/mol, XLogP of 3.56, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-(cyclopropylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxoimidazolidin-1-yl]-3-methylpentanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68687036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).