(2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide

C16H27N5O7 — CID 173062210

About (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide

(2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide (PubChem CID 173062210) has the molecular formula C16H27N5O7 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
• PubChem CID: 173062210
• Molecular Formula: C16H27N5O7
• Molecular Weight: 401.42 g/mol
• Exact Mass: 401.19
• IUPAC Name: (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
• SMILES: C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C=O
• InChI: InChI=1S/C16H27N5O7/c1-9(16(28)21-4-2-3-10(21)6-22)19-13(25)5-18-15(27)12(8-24)20-14(26)11(17)7-23/h6,9-12,23-24H,2-5,7-8,17H2,1H3,(H,18,27)(H,19,25)(H,20,26)/t9-,10-,11-,12-/m0/s1
• InChIKey: MCQXSBRRUYMGID-BJDJZHNGSA-N
• XLogP: -4.41
• TPSA: 191.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	-4.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?

The IUPAC name of (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide (CID 173062210) is (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide.

What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?

The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide is C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C=O.

What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?

The InChIKey is MCQXSBRRUYMGID-BJDJZHNGSA-N. The full InChI is InChI=1S/C16H27N5O7/c1-9(16(28)21-4-2-3-10(21)6-22)19-13(25)5-18-15(27)12(8-24)20-14(26)11(17)7-23/h6,9-12,23-24H,2-5,7-8,17H2,1H3,(H,18,27)(H,19,25)(H,20,26)/t9-,10-,11-,12-/m0/s1.

What are the key properties of (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide?

(2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide has a molecular weight of 401.42 g/mol, XLogP of -4.41, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(2S)-1-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide is sourced from PubChem (CID 173062210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).