[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

C46H67N7O10S — CID 146586491

About [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 146586491) has the molecular formula C46H67N7O10S and a molecular weight of 910.15 g/mol. Its IUPAC name is [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
• PubChem CID: 146586491
• Molecular Formula: C46H67N7O10S
• Molecular Weight: 910.15 g/mol
• Exact Mass: 909.47
• IUPAC Name: [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CN(S(=O)(=O)C1CC1)C2
• InChI: InChI=1S/C46H67N7O10S/c1-31(2)26-36(49-40(55)37(27-32-14-8-6-9-15-32)50-41(56)38(51-43(58)59)28-33-16-10-7-11-17-33)39(54)48-35(18-12-13-23-47-44(60)63-45(3,4)5)42(57)52-24-21-46(22-25-52)29-53(30-46)64(61,62)34-19-20-34/h6-11,14-17,31,34-38,51H,12-13,18-30H2,1-5H3,(H,47,60)(H,48,54)(H,49,55)(H,50,56)(H,58,59)/t35-,36-,37-,38-/m1/s1
• InChIKey: XVSNCCVYOPPMIV-SIMZDOAPSA-N
• XLogP: 3.72
• TPSA: 232.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.15
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 146586491) is [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CN(S(=O)(=O)C1CC1)C2.

What is the InChIKey of [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

The InChIKey is XVSNCCVYOPPMIV-SIMZDOAPSA-N. The full InChI is InChI=1S/C46H67N7O10S/c1-31(2)26-36(49-40(55)37(27-32-14-8-6-9-15-32)50-41(56)38(51-43(58)59)28-33-16-10-7-11-17-33)39(54)48-35(18-12-13-23-47-44(60)63-45(3,4)5)42(57)52-24-21-46(22-25-52)29-53(30-46)64(61,62)34-19-20-34/h6-11,14-17,31,34-38,51H,12-13,18-30H2,1-5H3,(H,47,60)(H,48,54)(H,49,55)(H,50,56)(H,58,59)/t35-,36-,37-,38-/m1/s1.

What are the key properties of [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?

[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 910.15 g/mol, XLogP of 3.72, 21 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-(2-cyclopropylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 146586491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).