tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C51H61N5O13 — CID 11274599

About tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11274599) has the molecular formula C51H61N5O13 and a molecular weight of 952.07 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11274599
• Molecular Formula: C51H61N5O13
• Molecular Weight: 952.07 g/mol
• Exact Mass: 951.43
• IUPAC Name: tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C51H61N5O13/c1-48(2,3)68-44(60)37(26-40(52)57)53-43(59)36(54-46(62)66-28-31-18-13-10-14-19-31)25-32-22-23-39(65-27-30-16-11-9-12-17-30)34(24-32)33-20-15-21-35-41(33)55-45(61)51(35,64)42(58)38-29-67-50(7,8)56(38)47(63)69-49(4,5)6/h9-24,36-38,42,58,64H,25-29H2,1-8H3,(H2,52,57)(H,53,59)(H,54,62)(H,55,61)/t36-,37-,38+,42+,51-/m0/s1
• InChIKey: ZFPYRWSWSWMNQC-UDJQNBONSA-N
• XLogP: 5.34
• TPSA: 254.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	952.07
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11274599) is tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(-c2cccc3c2NC(=O)[C@@]3(O)[C@H](O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1.

What is the InChIKey of tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is ZFPYRWSWSWMNQC-UDJQNBONSA-N. The full InChI is InChI=1S/C51H61N5O13/c1-48(2,3)68-44(60)37(26-40(52)57)53-43(59)36(54-46(62)66-28-31-18-13-10-14-19-31)25-32-22-23-39(65-27-30-16-11-9-12-17-30)34(24-32)33-20-15-21-35-41(33)55-45(61)51(35,64)42(58)38-29-67-50(7,8)56(38)47(63)69-49(4,5)6/h9-24,36-38,42,58,64H,25-29H2,1-8H3,(H2,52,57)(H,53,59)(H,54,62)(H,55,61)/t36-,37-,38+,42+,51-/m0/s1.

What are the key properties of tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 952.07 g/mol, XLogP of 5.34, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-4-[(R)-[(3S)-7-[5-[(2S)-3-[[(2S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]-3-hydroxy-2-oxo-1H-indol-3-yl]-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11274599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).