(2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid

C24H38N4O6 — CID 10073799

About (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid (PubChem CID 10073799) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid
• PubChem CID: 10073799
• Molecular Formula: C24H38N4O6
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.28
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid
• SMILES: CC(C)C[C@H](N[C@H](C(N)=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)O
• InChI: InChI=1S/C24H38N4O6/c1-14(2)12-18(21(30)26-15(3)22(31)32)27-19(20(25)29)17(13-16-10-8-7-9-11-16)28-23(33)34-24(4,5)6/h7-11,14-15,17-19,27H,12-13H2,1-6H3,(H2,25,29)(H,26,30)(H,28,33)(H,31,32)/t15-,17-,18-,19-/m0/s1
• InChIKey: MINUUYSEXOZLEP-WNHJNPCNSA-N
• XLogP: 1.57
• TPSA: 159.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid (CID 10073799) is (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid is CC(C)C[C@H](N[C@H](C(N)=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)O.

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid?

The InChIKey is MINUUYSEXOZLEP-WNHJNPCNSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-14(2)12-18(21(30)26-15(3)22(31)32)27-19(20(25)29)17(13-16-10-8-7-9-11-16)28-23(33)34-24(4,5)6/h7-11,14-15,17-19,27H,12-13H2,1-6H3,(H2,25,29)(H,26,30)(H,28,33)(H,31,32)/t15-,17-,18-,19-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid?

(2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid has a molecular weight of 478.59 g/mol, XLogP of 1.57, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S,3S)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methylpentanoyl]amino]propanoic acid is sourced from PubChem (CID 10073799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).