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

C77H89F2N11O15 — CID 159108523

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

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 159108523) has the molecular formula C77H89F2N11O15 and a molecular weight of 1446.62 g/mol. Its IUPAC name is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 159108523
• Molecular Formula: C77H89F2N11O15
• Molecular Weight: 1446.62 g/mol
• Exact Mass: 1445.65
• IUPAC Name: tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CN)cc4)CC3)c(F)c2)C(=O)O1.CC(C)(C)OC(=O)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/C47H51FN6O9.C30H38FN5O6/c1-47(2,3)63-45(59)50-26-33-28-54(46(60)62-33)32-16-17-40(39(48)24-32)52-20-22-53(23-21-52)43(57)19-18-41(55)31-14-12-30(13-15-31)25-49-42(56)27-51-44(58)61-29-38-36-10-6-4-8-34(36)35-9-5-7-11-37(35)38;1-30(2,3)42-28(39)33-18-23-19-36(29(40)41-23)22-8-9-25(24(31)16-22)34-12-14-35(15-13-34)27(38)11-10-26(37)21-6-4-20(17-32)5-7-21/h4-17,24,33,38H,18-23,25-29H2,1-3H3,(H,49,56)(H,50,59)(H,51,58);4-9,16,23H,10-15,17-19,32H2,1-3H3,(H,33,39)/t33-;23-/m00/s1
• InChIKey: KEERNAVJZDQCOS-NMXPRWHTSA-N
• XLogP: 9.59
• TPSA: 310.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.62
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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

The IUPAC name of tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 159108523) is tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

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

The canonical SMILES for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CN)cc4)CC3)c(F)c2)C(=O)O1.CC(C)(C)OC(=O)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 tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is KEERNAVJZDQCOS-NMXPRWHTSA-N. The full InChI is InChI=1S/C47H51FN6O9.C30H38FN5O6/c1-47(2,3)63-45(59)50-26-33-28-54(46(60)62-33)32-16-17-40(39(48)24-32)52-20-22-53(23-21-52)43(57)19-18-41(55)31-14-12-30(13-15-31)25-49-42(56)27-51-44(58)61-29-38-36-10-6-4-8-34(36)35-9-5-7-11-37(35)38;1-30(2,3)42-28(39)33-18-23-19-36(29(40)41-23)22-8-9-25(24(31)16-22)34-12-14-35(15-13-34)27(38)11-10-26(37)21-6-4-20(17-32)5-7-21/h4-17,24,33,38H,18-23,25-29H2,1-3H3,(H,49,56)(H,50,59)(H,51,58);4-9,16,23H,10-15,17-19,32H2,1-3H3,(H,33,39)/t33-;23-/m00/s1.

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

tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 1446.62 g/mol, XLogP of 9.59, 23 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(5S)-3-[4-[4-[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;tert-butyl N-[[(5S)-3-[4-[4-[4-[4-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]-4-oxobutanoyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 159108523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).