6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione

C128H183ClF12N13O26P — CID 123333548

About 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione

6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione (PubChem CID 123333548) has the molecular formula C128H183ClF12N13O26P and a molecular weight of 2614.34 g/mol. Its IUPAC name is 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione.

Molecular Properties

• Compound Name: 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione
• PubChem CID: 123333548
• Molecular Formula: C128H183ClF12N13O26P
• Molecular Weight: 2614.34 g/mol
• Exact Mass: 2612.26
• IUPAC Name: 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione
• SMILES: CC(C)N(C(C)C)P(Cl)OCCC#N.CCCCN(CCCCN(CCCN(CCC(C)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)CCN(CCCN(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1
• InChI: InChI=1S/C53H64F12N6O10.C32H40N2O5.C30H57N3O7.C9H18ClN2OP.C4H4O3/c1-79-41-20-16-37(17-21-41)49(36-13-5-3-6-14-36,38-18-22-42(80-2)23-19-38)81-35-39-33-40(72)34-71(39)44(74)15-7-4-8-25-66-43(73)24-32-70(48(78)53(63,64)65)31-12-30-69(47(77)52(60,61)62)28-10-9-27-68(46(76)51(57,58)59)29-11-26-67-45(75)50(54,55)56;1-37-29-16-12-25(13-17-29)32(24-9-5-3-6-10-24,26-14-18-30(38-2)19-15-26)39-23-27-21-28(35)22-34(27)31(36)11-7-4-8-20-33;1-12-13-18-31(25(35)38-28(3,4)5)19-14-15-20-32(26(36)39-29(6,7)8)21-16-22-33(23-17-24(2)34)27(37)40-30(9,10)11;1-8(2)12(9(3)4)14(10)13-7-5-6-11;5-3-1-2-4(6)7-3/h3,5-6,13-14,16-23,39-40,72H,4,7-12,15,24-35H2,1-2H3,(H,66,73)(H,67,75);3,5-6,9-10,12-19,27-28,35H,4,7-8,11,20-23,33H2,1-2H3;12-23H2,1-11H3;8-9H,5,7H2,1-4H3;1-2H2/t39-,40+;27-,28+;;;/m00.../s1
• InChIKey: LRBHUJQAAYSCHT-GFEXAZQLSA-N
• XLogP: 21.94
• TPSA: 466.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 64
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2614.34
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione?

The IUPAC name of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione (CID 123333548) is 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione.

What is the SMILES notation for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione?

The canonical SMILES for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione is CC(C)N(C(C)C)P(Cl)OCCC#N.CCCCN(CCCCN(CCCN(CCC(C)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)CCN(CCCN(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C1CCC(=O)O1.

What is the InChIKey of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione?

The InChIKey is LRBHUJQAAYSCHT-GFEXAZQLSA-N. The full InChI is InChI=1S/C53H64F12N6O10.C32H40N2O5.C30H57N3O7.C9H18ClN2OP.C4H4O3/c1-79-41-20-16-37(17-21-41)49(36-13-5-3-6-14-36,38-18-22-42(80-2)23-19-38)81-35-39-33-40(72)34-71(39)44(74)15-7-4-8-25-66-43(73)24-32-70(48(78)53(63,64)65)31-12-30-69(47(77)52(60,61)62)28-10-9-27-68(46(76)51(57,58)59)29-11-26-67-45(75)50(54,55)56;1-37-29-16-12-25(13-17-29)32(24-9-5-3-6-10-24,26-14-18-30(38-2)19-15-26)39-23-27-21-28(35)22-34(27)31(36)11-7-4-8-20-33;1-12-13-18-31(25(35)38-28(3,4)5)19-14-15-20-32(26(36)39-29(6,7)8)21-16-22-33(23-17-24(2)34)27(37)40-30(9,10)11;1-8(2)12(9(3)4)14(10)13-7-5-6-11;5-3-1-2-4(6)7-3/h3,5-6,13-14,16-23,39-40,72H,4,7-12,15,24-35H2,1-2H3,(H,66,73)(H,67,75);3,5-6,9-10,12-19,27-28,35H,4,7-8,11,20-23,33H2,1-2H3;12-23H2,1-11H3;8-9H,5,7H2,1-4H3;1-2H2/t39-,40+;27-,28+;;;/m00.../s1.

What are the key properties of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione?

6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione has a molecular weight of 2614.34 g/mol, XLogP of 21.94, 64 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione is sourced from PubChem (CID 123333548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).