2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide

C47H73N9O8 — CID 89194685

About 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide

2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide (PubChem CID 89194685) has the molecular formula C47H73N9O8 and a molecular weight of 892.16 g/mol. Its IUPAC name is 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide
• PubChem CID: 89194685
• Molecular Formula: C47H73N9O8
• Molecular Weight: 892.16 g/mol
• Exact Mass: 891.56
• IUPAC Name: 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide
• SMILES: CN[C@@H](C)C(=O)NC(C(=O)N1C[C@@H](NC(=O)C2CCCC2C(=O)N[C@H]2CC(C=O)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
• InChI: InChI=1S/C47H73N9O8/c1-26(48-9)39(58)53-37(46(3,4)5)44(63)55-23-29(21-31(55)25-57)50-41(60)33-18-14-19-34(33)42(61)51-30-22-36(43(62)52-35-20-13-16-28-15-11-12-17-32(28)35)56(24-30)45(64)38(47(6,7)8)54-40(59)27(2)49-10/h11-12,15,17,25-27,29-31,33-38,48-49H,13-14,16,18-24H2,1-10H3,(H,50,60)(H,51,61)(H,52,62)(H,53,58)(H,54,59)/t26-,27-,29-,30-,31?,33?,34?,35+,36?,37+,38?/m0/s1
• InChIKey: GGUJOPXIVOLQDQ-WSTJOHLGSA-N
• XLogP: 1.24
• TPSA: 227.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.16
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide?

The IUPAC name of 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide (CID 89194685) is 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide.

What is the SMILES notation for 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide?

The canonical SMILES for 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide is CN[C@@H](C)C(=O)NC(C(=O)N1C[C@@H](NC(=O)C2CCCC2C(=O)N[C@H]2CC(C=O)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C.

What is the InChIKey of 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide?

The InChIKey is GGUJOPXIVOLQDQ-WSTJOHLGSA-N. The full InChI is InChI=1S/C47H73N9O8/c1-26(48-9)39(58)53-37(46(3,4)5)44(63)55-23-29(21-31(55)25-57)50-41(60)33-18-14-19-34(33)42(61)51-30-22-36(43(62)52-35-20-13-16-28-15-11-12-17-32(28)35)56(24-30)45(64)38(47(6,7)8)54-40(59)27(2)49-10/h11-12,15,17,25-27,29-31,33-38,48-49H,13-14,16,18-24H2,1-10H3,(H,50,60)(H,51,61)(H,52,62)(H,53,58)(H,54,59)/t26-,27-,29-,30-,31?,33?,34?,35+,36?,37+,38?/m0/s1.

What are the key properties of 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide?

2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide has a molecular weight of 892.16 g/mol, XLogP of 1.24, 15 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-formylpyrrolidin-3-yl]-1-N-[(3S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 89194685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).