tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate

C91H98F2N12O16 — CID 158860003

About tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 158860003) has the molecular formula C91H98F2N12O16 and a molecular weight of 1653.85 g/mol. Its IUPAC name is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 158860003
• Molecular Formula: C91H98F2N12O16
• Molecular Weight: 1653.85 g/mol
• Exact Mass: 1652.72
• IUPAC Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate
• SMILES: CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CN)OC4=O)cc3F)CC2)cc1.CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CNC(=O)OC(C)(C)C)OC4=O)cc3F)CC2)cc1
• InChI: InChI=1S/C48H53FN6O9.C43H45FN6O7/c1-30(52-46(60)62-29-39-37-11-7-5-9-35(37)36-10-6-8-12-38(36)39)44(58)50-26-31-13-15-32(16-14-31)42(56)19-20-43(57)54-23-21-53(22-24-54)41-18-17-33(25-40(41)49)55-28-34(63-47(55)61)27-51-45(59)64-48(2,3)4;1-27(47-42(54)56-26-36-34-8-4-2-6-32(34)33-7-3-5-9-35(33)36)41(53)46-24-28-10-12-29(13-11-28)39(51)16-17-40(52)49-20-18-48(19-21-49)38-15-14-30(22-37(38)44)50-25-31(23-45)57-43(50)55/h5-18,25,30,34,39H,19-24,26-29H2,1-4H3,(H,50,58)(H,51,59)(H,52,60);2-15,22,27,31,36H,16-21,23-26,45H2,1H3,(H,46,53)(H,47,54)/t30?,34-;27?,31-/m00/s1
• InChIKey: JANOPFVDNRWXHB-JAYBBLRFSA-N
• XLogP: 11.50
• TPSA: 339.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1653.85
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate (CID 158860003) is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CN)OC4=O)cc3F)CC2)cc1.CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CNC(=O)OC(C)(C)C)OC4=O)cc3F)CC2)cc1.

What is the InChIKey of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate?

The InChIKey is JANOPFVDNRWXHB-JAYBBLRFSA-N. The full InChI is InChI=1S/C48H53FN6O9.C43H45FN6O7/c1-30(52-46(60)62-29-39-37-11-7-5-9-35(37)36-10-6-8-12-38(36)39)44(58)50-26-31-13-15-32(16-14-31)42(56)19-20-43(57)54-23-21-53(22-24-54)41-18-17-33(25-40(41)49)55-28-34(63-47(55)61)27-51-45(59)64-48(2,3)4;1-27(47-42(54)56-26-36-34-8-4-2-6-32(34)33-7-3-5-9-35(33)36)41(53)46-24-28-10-12-29(13-11-28)39(51)16-17-40(52)49-20-18-48(19-21-49)38-15-14-30(22-37(38)44)50-25-31(23-45)57-43(50)55/h5-18,25,30,34,39H,19-24,26-29H2,1-4H3,(H,50,58)(H,51,59)(H,52,60);2-15,22,27,31,36H,16-21,23-26,45H2,1H3,(H,46,53)(H,47,54)/t30?,34-;27?,31-/m00/s1.

What are the key properties of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate?

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 1653.85 g/mol, XLogP of 11.50, 27 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;9H-fluoren-9-ylmethyl N-[1-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 158860003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).