(3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid

C93H139N7O15 — CID 158289313

About (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid

(3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid (PubChem CID 158289313) has the molecular formula C93H139N7O15 and a molecular weight of 1595.17 g/mol. Its IUPAC name is (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

• Compound Name: (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
• PubChem CID: 158289313
• Molecular Formula: C93H139N7O15
• Molecular Weight: 1595.17 g/mol
• Exact Mass: 1594.03
• IUPAC Name: (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid
• SMILES: CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O.CON1C[C@@H](N)C1=O
• InChI: InChI=1S/C47H69N3O7.C42H62N2O6.C4H8N2O2/c1-8-11-14-17-38(29-42(51)37-25-23-36(24-26-37)35-21-19-34(20-22-35)16-13-10-3)46(55)48-40(18-15-12-9-2)43(52)28-33(6)45(54)49-41(27-32(4)5)44(53)30-39-31-50(57-7)47(39)56;1-7-10-13-16-35(28-38(45)34-24-22-33(23-25-34)32-20-18-31(19-21-32)15-12-9-3)41(48)43-36(17-14-11-8-2)39(46)27-30(6)40(47)44-37(42(49)50)26-29(4)5;1-8-6-2-3(5)4(6)7/h19-26,32-33,38-41H,8-18,27-31H2,1-7H3,(H,48,55)(H,49,54);18-25,29-30,35-37H,7-17,26-28H2,1-6H3,(H,43,48)(H,44,47)(H,49,50);3H,2,5H2,1H3/t33-,38-,39-,40+,41+;30-,35-,36+,37+;3-/m111/s1
• InChIKey: GLDVGCIUQBHRCF-VNIMOGMRSA-N
• XLogP: 16.09
• TPSA: 324.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 54
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1595.17
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?

The IUPAC name of (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid (CID 158289313) is (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid.

What is the SMILES notation for (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?

The canonical SMILES for (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid is CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H]1CN(OC)C1=O.CCCCC[C@H](CC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)N[C@@H](CCCCC)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O.CON1C[C@@H](N)C1=O.

What is the InChIKey of (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?

The InChIKey is GLDVGCIUQBHRCF-VNIMOGMRSA-N. The full InChI is InChI=1S/C47H69N3O7.C42H62N2O6.C4H8N2O2/c1-8-11-14-17-38(29-42(51)37-25-23-36(24-26-37)35-21-19-34(20-22-35)16-13-10-3)46(55)48-40(18-15-12-9-2)43(52)28-33(6)45(54)49-41(27-32(4)5)44(53)30-39-31-50(57-7)47(39)56;1-7-10-13-16-35(28-38(45)34-24-22-33(23-25-34)32-20-18-31(19-21-32)15-12-9-3)41(48)43-36(17-14-11-8-2)39(46)27-30(6)40(47)44-37(42(49)50)26-29(4)5;1-8-6-2-3(5)4(6)7/h19-26,32-33,38-41H,8-18,27-31H2,1-7H3,(H,48,55)(H,49,54);18-25,29-30,35-37H,7-17,26-28H2,1-6H3,(H,43,48)(H,44,47)(H,49,50);3H,2,5H2,1H3/t33-,38-,39-,40+,41+;30-,35-,36+,37+;3-/m111/s1.

What are the key properties of (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid?

(3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid has a molecular weight of 1595.17 g/mol, XLogP of 16.09, 54 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-methoxyazetidin-2-one;(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-N-[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-5-methyl-2-oxohexan-3-yl]-2-methyl-4-oxodecanamide;(2S)-2-[[(2R,5S)-5-[[(2R)-2-[2-[4-(4-butylphenyl)phenyl]-2-oxoethyl]heptanoyl]amino]-2-methyl-4-oxodecanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 158289313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).