(2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride

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

(2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride (PubChem CID 24850086) has the molecular formula C28H34Cl2N6O8S and a molecular weight of 685.59 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name	(2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride
PubChem CID	24850086
Molecular Formula	C28H34Cl2N6O8S
Molecular Weight	685.59 g/mol
Exact Mass	684.15
IUPAC Name	(2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride
SMILES	Cl.NC(=O)C[C@H](N)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
InChI	InChI=1S/C28H33ClN6O8S.ClH/c29-22-9-8-21(44-22)27(40)35(24(37)3-1-2-10-32-26(39)20(30)13-23(31)36)15-19-14-34(28(41)43-19)18-6-4-17(5-7-18)33-11-12-42-16-25(33)38;/h4-9,19-20H,1-3,10-16,30H2,(H2,31,36)(H,32,39);1H/t19-,20+;/m1./s1
InChIKey	SABBGXKQXMXEIG-FDOHDBATSA-N
XLogP	1.67
TPSA	194.67 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	13
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	685.59
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride (CID 24850086) is (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride.

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

The canonical SMILES for (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride is Cl.NC(=O)C[C@H](N)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 (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride?

The InChIKey is SABBGXKQXMXEIG-FDOHDBATSA-N. The full InChI is InChI=1S/C28H33ClN6O8S.ClH/c29-22-9-8-21(44-22)27(40)35(24(37)3-1-2-10-32-26(39)20(30)13-23(31)36)15-19-14-34(28(41)43-19)18-6-4-17(5-7-18)33-11-12-42-16-25(33)38;/h4-9,19-20H,1-3,10-16,30H2,(H2,31,36)(H,32,39);1H/t19-,20+;/m1./s1.

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

(2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride has a molecular weight of 685.59 g/mol, XLogP of 1.67, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[5-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-5-oxopentyl]butanediamide;hydrochloride is sourced from PubChem (CID 24850086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).