(4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride

C17H31N4O10P3-6 — CID 159448566

About (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride

(4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride (PubChem CID 159448566) has the molecular formula C17H31N4O10P3-6 and a molecular weight of 544.38 g/mol. Its IUPAC name is (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride.

Molecular Properties

• Compound Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride
• PubChem CID: 159448566
• Molecular Formula: C17H31N4O10P3-6
• Molecular Weight: 544.38 g/mol
• Exact Mass: 544.13
• IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride
• SMILES: CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O.[P-3].[PH-2].[PH2-]
• InChI: InChI=1S/C17H28N4O10.H2P.HP.P/c1-7(2)13(17(30)31)21-15(28)9(5-12(25)26)19-16(29)10(6-22)20-14(27)8(18)3-4-11(23)24;;;/h7-10,13,22H,3-6,18H2,1-2H3,(H,19,29)(H,20,27)(H,21,28)(H,23,24)(H,25,26)(H,30,31);1H2;1H;/q;-1;-2;-3/t8-,9-,10-,13-;;;/m0.../s1
• InChIKey: LTBNUBDWYJBUDN-LQPYKMLBSA-N
• XLogP: -1.38
• TPSA: 245.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.38
LogP ≤ 5	-1.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride?

The IUPAC name of (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride (CID 159448566) is (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride.

What is the SMILES notation for (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride?

The canonical SMILES for (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride is CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O.[P-3].[PH-2].[PH2-].

What is the InChIKey of (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride?

The InChIKey is LTBNUBDWYJBUDN-LQPYKMLBSA-N. The full InChI is InChI=1S/C17H28N4O10.H2P.HP.P/c1-7(2)13(17(30)31)21-15(28)9(5-12(25)26)19-16(29)10(6-22)20-14(27)8(18)3-4-11(23)24;;;/h7-10,13,22H,3-6,18H2,1-2H3,(H,19,29)(H,20,27)(H,21,28)(H,23,24)(H,25,26)(H,30,31);1H2;1H;/q;-1;-2;-3/t8-,9-,10-,13-;;;/m0.../s1.

What are the key properties of (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride?

(4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride has a molecular weight of 544.38 g/mol, XLogP of -1.38, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;phosphanide;phosphorus(3-);phosphorus(2-) monohydride is sourced from PubChem (CID 159448566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).