(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C88H106N9O15P3 — CID 165030842

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 165030842) has the molecular formula C88H106N9O15P3 and a molecular weight of 1622.79 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• PubChem CID: 165030842
• Molecular Formula: C88H106N9O15P3
• Molecular Weight: 1622.79 g/mol
• Exact Mass: 1621.70
• IUPAC Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12
• InChI: InChI=1S/C24H32N4O5.C24H30N4O4.C23H4.C9H21O6P3.C8H19N/c1-13(2)9-15(24(32)28-19(22(25)30)10-14-7-8-26-23(14)31)11-20(29)18-12-16-17(27-18)5-4-6-21(16)33-3;1-14(2)9-16(24(31)27-17(13-25)10-15-7-8-26-23(15)30)11-21(29)20-12-18-19(28-20)5-4-6-22(18)32-3;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5/h4-6,12-15,19,27H,7-11H2,1-3H3,(H2,25,30)(H,26,31)(H,28,32);4-6,12,14-17,28H,7-11H2,1-3H3,(H,26,30)(H,27,31);1H,2H3;4-9H2,1-3H3;7-8H,6H2,1-5H3/t14-,15+,19-;15-,16+,17-;;;/m00.../s1
• InChIKey: MPXZXINHYCIIAL-JFGIDNLVSA-N
• XLogP: 12.51
• TPSA: 349.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.79
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 165030842) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12.

What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

The InChIKey is MPXZXINHYCIIAL-JFGIDNLVSA-N. The full InChI is InChI=1S/C24H32N4O5.C24H30N4O4.C23H4.C9H21O6P3.C8H19N/c1-13(2)9-15(24(32)28-19(22(25)30)10-14-7-8-26-23(14)31)11-20(29)18-12-16-17(27-18)5-4-6-21(16)33-3;1-14(2)9-16(24(31)27-17(13-25)10-15-7-8-26-23(15)30)11-21(29)20-12-18-19(28-20)5-4-6-22(18)32-3;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5/h4-6,12-15,19,27H,7-11H2,1-3H3,(H2,25,30)(H,26,31)(H,28,32);4-6,12,14-17,28H,7-11H2,1-3H3,(H,26,30)(H,27,31);1H,2H3;4-9H2,1-3H3;7-8H,6H2,1-5H3/t14-,15+,19-;15-,16+,17-;;;/m00.../s1.

What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 1622.79 g/mol, XLogP of 12.51, 30 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;N-ethyl-N-propan-2-ylpropan-2-amine;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 165030842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).