(4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane

C14H30N4O4S — CID 143738115

About (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane

(4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane (PubChem CID 143738115) has the molecular formula C14H30N4O4S and a molecular weight of 350.49 g/mol. Its IUPAC name is (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane.

Molecular Properties

• Compound Name: (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane
• PubChem CID: 143738115
• Molecular Formula: C14H30N4O4S
• Molecular Weight: 350.49 g/mol
• Exact Mass: 350.20
• IUPAC Name: (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane
• SMILES: C.CC.CSC[C@H](NC(=O)CC[C@H](N)C=O)C(=O)NCC(N)=O
• InChI: InChI=1S/C11H20N4O4S.C2H6.CH4/c1-20-6-8(11(19)14-4-9(13)17)15-10(18)3-2-7(12)5-16;1-2;/h5,7-8H,2-4,6,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18);1-2H3;1H4/t7-,8-;;/m0../s1
• InChIKey: DBLCFHPAAAOWGQ-FOMWZSOGSA-N
• XLogP: -0.60
• TPSA: 144.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.49
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane?

The IUPAC name of (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane (CID 143738115) is (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane.

What is the SMILES notation for (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane?

The canonical SMILES for (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane is C.CC.CSC[C@H](NC(=O)CC[C@H](N)C=O)C(=O)NCC(N)=O.

What is the InChIKey of (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane?

The InChIKey is DBLCFHPAAAOWGQ-FOMWZSOGSA-N. The full InChI is InChI=1S/C11H20N4O4S.C2H6.CH4/c1-20-6-8(11(19)14-4-9(13)17)15-10(18)3-2-7(12)5-16;1-2;/h5,7-8H,2-4,6,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18);1-2H3;1H4/t7-,8-;;/m0../s1.

What are the key properties of (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane?

(4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane has a molecular weight of 350.49 g/mol, XLogP of -0.60, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]-5-oxopentanamide;ethane;methane is sourced from PubChem (CID 143738115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).