benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

C138H207N7O32P8 — CID 157251426

About benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (PubChem CID 157251426) has the molecular formula C138H207N7O32P8 and a molecular weight of 2723.98 g/mol. Its IUPAC name is benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
• PubChem CID: 157251426
• Molecular Formula: C138H207N7O32P8
• Molecular Weight: 2723.98 g/mol
• Exact Mass: 2722.27
• IUPAC Name: benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.C[C@H](CP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)COC(C)(C)C
• InChI: InChI=1S/C25H29O4P.C22H32NO4P.C16H26NO4P.5C15H24NO4P/c1-19(24(26)28-17-20-11-6-5-7-12-20)18-30(27,25(2,3)4)29-23-16-10-14-21-13-8-9-15-22(21)23;1-16(19(24)15-26-21(2,3)4)23-28(25,22(5,6)7)27-20-14-10-12-17-11-8-9-13-18(17)20;1-12(2)20-15(18)13(3)17-22(19,16(4,5)6)21-14-10-8-7-9-11-14;5*1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h5-16,19H,17-18H2,1-4H3;8-14,16H,15H2,1-7H3,(H,23,25);7-13H,1-6H3,(H,17,19);5*6-13H,1-5H3,(H,16,18)/t19-,30?;16-,28?;13-,22-;2*13-,21?;2*13-,21+;13-,21-/m10010101/s1
• InChIKey: AWJRXZSWJNCRNJ-NHDAWIOISA-N
• XLogP: 34.22
• TPSA: 505.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 55
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2723.98
LogP ≤ 5	34.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The IUPAC name of benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (CID 157251426) is benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

What is the SMILES notation for benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The canonical SMILES for benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is CC(C)OC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=O)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)C(C)C.C[C@H](CP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCc1ccccc1.C[C@H](NP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)COC(C)(C)C.

What is the InChIKey of benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

The InChIKey is AWJRXZSWJNCRNJ-NHDAWIOISA-N. The full InChI is InChI=1S/C25H29O4P.C22H32NO4P.C16H26NO4P.5C15H24NO4P/c1-19(24(26)28-17-20-11-6-5-7-12-20)18-30(27,25(2,3)4)29-23-16-10-14-21-13-8-9-15-22(21)23;1-16(19(24)15-26-21(2,3)4)23-28(25,22(5,6)7)27-20-14-10-12-17-11-8-9-13-18(17)20;1-12(2)20-15(18)13(3)17-22(19,16(4,5)6)21-14-10-8-7-9-11-14;5*1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h5-16,19H,17-18H2,1-4H3;8-14,16H,15H2,1-7H3,(H,23,25);7-13H,1-6H3,(H,17,19);5*6-13H,1-5H3,(H,16,18)/t19-,30?;16-,28?;13-,22-;2*13-,21?;2*13-,21+;13-,21-/m10010101/s1.

What are the key properties of benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?

benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate has a molecular weight of 2723.98 g/mol, XLogP of 34.22, 55 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is sourced from PubChem (CID 157251426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).