(4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium

C24H45N4O4Y- — CID 58709657

About (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium

(4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium (PubChem CID 58709657) has the molecular formula C24H45N4O4Y- and a molecular weight of 542.55 g/mol. Its IUPAC name is (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium.

Molecular Properties

• Compound Name: (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium
• PubChem CID: 58709657
• Molecular Formula: C24H45N4O4Y-
• Molecular Weight: 542.55 g/mol
• Exact Mass: 542.25
• IUPAC Name: (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium
• SMILES: CN[C@@H](C)CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@@H](C)C[C-]=O)C(C)C)C(C)C.[Y]
• InChI: InChI=1S/C24H45N4O4.Y/c1-16(2)20(9-12-22(30)26-19(6)14-15-29)28-24(32)13-10-21(17(3)4)27-23(31)11-8-18(5)25-7;/h16-21,25H,8-14H2,1-7H3,(H,26,30)(H,27,31)(H,28,32);/q-1;/t18-,19-,20+,21+;/m0./s1
• InChIKey: RNEMKLGTVYXXTI-HRVFFBEBSA-N
• XLogP: 2.22
• TPSA: 116.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium?

The IUPAC name of (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium (CID 58709657) is (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium.

What is the SMILES notation for (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium?

The canonical SMILES for (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium is CN[C@@H](C)CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@@H](C)C[C-]=O)C(C)C)C(C)C.[Y].

What is the InChIKey of (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium?

The InChIKey is RNEMKLGTVYXXTI-HRVFFBEBSA-N. The full InChI is InChI=1S/C24H45N4O4.Y/c1-16(2)20(9-12-22(30)26-19(6)14-15-29)28-24(32)13-10-21(17(3)4)27-23(31)11-8-18(5)25-7;/h16-21,25H,8-14H2,1-7H3,(H,26,30)(H,27,31)(H,28,32);/q-1;/t18-,19-,20+,21+;/m0./s1.

What are the key properties of (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium?

(4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium has a molecular weight of 542.55 g/mol, XLogP of 2.22, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-methyl-4-[[(4S)-4-(methylamino)pentanoyl]amino]-N-[(3R)-2-methyl-6-oxo-6-[[(2S)-4-oxobutan-2-yl]amino]hexan-3-yl]hexanamide;yttrium is sourced from PubChem (CID 58709657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).