(4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane

C30H38ClN5O9S — CID 159964657

About (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane

(4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane (PubChem CID 159964657) has the molecular formula C30H38ClN5O9S and a molecular weight of 680.18 g/mol. Its IUPAC name is (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane.

Molecular Properties

• Compound Name: (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane
• PubChem CID: 159964657
• Molecular Formula: C30H38ClN5O9S
• Molecular Weight: 680.18 g/mol
• Exact Mass: 679.21
• IUPAC Name: (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane
• SMILES: C.N[C@@H](CCC(=O)O)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C29H34ClN5O9S.CH4/c30-23-10-9-22(45-23)28(41)35(24(36)3-1-2-12-32-27(40)21(31)8-11-26(38)39)16-20-15-34(29(42)44-20)19-6-4-18(5-7-19)33-13-14-43-17-25(33)37;/h4-7,9-10,20-21H,1-3,8,11-17,31H2,(H,32,40)(H,38,39);1H4/t20-,21+;/m1./s1
• InChIKey: ODTUWZKVYXLVOZ-BHDTVMLSSA-N
• XLogP: 2.87
• TPSA: 188.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.18
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane?

The IUPAC name of (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane (CID 159964657) is (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane.

What is the SMILES notation for (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane?

The canonical SMILES for (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane is C.N[C@@H](CCC(=O)O)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane?

The InChIKey is ODTUWZKVYXLVOZ-BHDTVMLSSA-N. The full InChI is InChI=1S/C29H34ClN5O9S.CH4/c30-23-10-9-22(45-23)28(41)35(24(36)3-1-2-12-32-27(40)21(31)8-11-26(38)39)16-20-15-34(29(42)44-20)19-6-4-18(5-7-19)33-13-14-43-17-25(33)37;/h4-7,9-10,20-21H,1-3,8,11-17,31H2,(H,32,40)(H,38,39);1H4/t20-,21+;/m1./s1.

What are the key properties of (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane?

(4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane has a molecular weight of 680.18 g/mol, XLogP of 2.87, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-[[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]amino]-5-oxopentanoic acid;methane is sourced from PubChem (CID 159964657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).