(2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

C34H44N6O5Si — CID 23815636

About (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

(2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (PubChem CID 23815636) has the molecular formula C34H44N6O5Si and a molecular weight of 644.85 g/mol. Its IUPAC name is (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• PubChem CID: 23815636
• Molecular Formula: C34H44N6O5Si
• Molecular Weight: 644.85 g/mol
• Exact Mass: 644.31
• IUPAC Name: (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• SMILES: C=CCN1C(=O)[C@]2(O[C@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(NC(=O)[C@H]3CCCN3)ccc21
• InChI: InChI=1S/C34H44N6O5Si/c1-5-17-40-29-14-13-24(36-32(42)27-12-9-16-35-27)19-26(29)34(33(40)43)22(2)31(46(3,4)44)30(45-34)15-18-39-20-28(37-38-39)25(21-41)23-10-7-6-8-11-23/h5-8,10-11,13-14,19-20,22,25,27,30-31,35,41,44H,1,9,12,15-18,21H2,2-4H3,(H,36,42)/t22-,25?,27+,30+,31-,34+/m0/s1
• InChIKey: XZTWUSOSCRWASQ-BGBMIHFESA-N
• XLogP: 3.51
• TPSA: 141.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.85
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (CID 23815636) is (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is C=CCN1C(=O)[C@]2(O[C@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(NC(=O)[C@H]3CCCN3)ccc21.

What is the InChIKey of (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The InChIKey is XZTWUSOSCRWASQ-BGBMIHFESA-N. The full InChI is InChI=1S/C34H44N6O5Si/c1-5-17-40-29-14-13-24(36-32(42)27-12-9-16-35-27)19-26(29)34(33(40)43)22(2)31(46(3,4)44)30(45-34)15-18-39-20-28(37-38-39)25(21-41)23-10-7-6-8-11-23/h5-8,10-11,13-14,19-20,22,25,27,30-31,35,41,44H,1,9,12,15-18,21H2,2-4H3,(H,36,42)/t22-,25?,27+,30+,31-,34+/m0/s1.

What are the key properties of (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

(2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 644.85 g/mol, XLogP of 3.51, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).