2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate

C75H84F2N12O12S2 — CID 159559544

About 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate

2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate (PubChem CID 159559544) has the molecular formula C75H84F2N12O12S2 and a molecular weight of 1447.70 g/mol. Its IUPAC name is 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate
• PubChem CID: 159559544
• Molecular Formula: C75H84F2N12O12S2
• Molecular Weight: 1447.70 g/mol
• Exact Mass: 1446.57
• IUPAC Name: 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate
• SMILES: CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNC(=O)CN)cc4)CC3)c(F)c2)C(=O)O1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNC(=O)CNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C45H47FN6O7S.C30H37FN6O5S/c1-2-42(60)48-25-32-27-52(45(57)59-32)31-15-16-39(38(46)23-31)50-19-21-51(22-20-50)43(55)18-17-40(53)30-13-11-29(12-14-30)24-47-41(54)26-49-44(56)58-28-37-35-9-5-3-7-33(35)34-8-4-6-10-36(34)37;1-2-28(43)34-18-23-19-37(30(41)42-23)22-7-8-25(24(31)15-22)35-11-13-36(14-12-35)29(40)10-9-26(38)21-5-3-20(4-6-21)17-33-27(39)16-32/h3-16,23,32,37H,2,17-22,24-28H2,1H3,(H,47,54)(H,48,60)(H,49,56);3-8,15,23H,2,9-14,16-19,32H2,1H3,(H,33,39)(H,34,43)/t32-;23-/m00/s1
• InChIKey: MGKUCGBCKWGIOM-IPFDPAMGSA-N
• XLogP: 8.31
• TPSA: 286.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1447.70
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate?

The IUPAC name of 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate (CID 159559544) is 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate.

What is the SMILES notation for 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate?

The canonical SMILES for 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate is CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNC(=O)CN)cc4)CC3)c(F)c2)C(=O)O1.CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNC(=O)CNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate?

The InChIKey is MGKUCGBCKWGIOM-IPFDPAMGSA-N. The full InChI is InChI=1S/C45H47FN6O7S.C30H37FN6O5S/c1-2-42(60)48-25-32-27-52(45(57)59-32)31-15-16-39(38(46)23-31)50-19-21-51(22-20-50)43(55)18-17-40(53)30-13-11-29(12-14-30)24-47-41(54)26-49-44(56)58-28-37-35-9-5-3-7-33(35)34-8-4-6-10-36(34)37;1-2-28(43)34-18-23-19-37(30(41)42-23)22-7-8-25(24(31)15-22)35-11-13-36(14-12-35)29(40)10-9-26(38)21-5-3-20(4-6-21)17-33-27(39)16-32/h3-16,23,32,37H,2,17-22,24-28H2,1H3,(H,47,54)(H,48,60)(H,49,56);3-8,15,23H,2,9-14,16-19,32H2,1H3,(H,33,39)(H,34,43)/t32-;23-/m00/s1.

What are the key properties of 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate?

2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 1447.70 g/mol, XLogP of 8.31, 27 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-[[4-[4-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 159559544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).