(2S)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

CAS: 85955-59-5

Molecular Formula	`C21H31N3O5`
Molecular Weight	405.5 g/mol
LogP	-2.9
Topological Polar Surface Area	133.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	12
Exact Mass	405.22638
Heavy Atoms	29
Complexity	550.0

Chemical Identifiers

CAS Number	85955-59-5
SMILES	`C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O`
InChIKey	`RLAWWYSOJDYHDC-KSZLIROESA-N`

📖 Product Overview

(2S)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (CAS: 85955-59-5) is a chemical compound with molecular formula C21H31N3O5 and molecular weight 405.5 g/mol. Its IUPAC systematic name is (2S)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid. LogP -2.9 Topological Polar Surface Area 133.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 12 Exact Mass 405.22638 Heavy Atoms 29 Complexity 550.0 InChI Key: RLAWWYSOJDYHDC-KSZLIROESA-N. SMILES: C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2S)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid.

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