Methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Basic information
- CAS
131696-94-1- Standard SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C- InChIKey
DNARUNJLGFXUOM-GCPZOVCVSA-N- Molecular formula
- C19H35N5O7
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- Methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
- IUPAC
- methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
- English name
- Eglin C (60-63)-methyl ester
- Molecular formula
- C19H35N5O7
- Molecular weight
- 445.51
Names & synonyms
131696-94-1H-Thr-Asn-Val-Val-OMeMethyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoateEglin c (60-63)-methyl ester acetate saltH-TNVV-OmeFE110289TNVV-OMeTHR-ASN-VAL-VAL-OMEH-THR-ASN-VAL-VAL-OME ACOHEglin C (60-63)-methyl esterH-THR-ASN-VAL-VAL-OME ACETATE SALTeglin C fragment 60-63 methyl ester
Show more names
Eglin c (60-63)-methyl ester CAS 131696-94-1L-Threonyl-L-asparaginyl-L-valyl-L-valine methyl ester
Database identifiers
- CAS
131696-94-1
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- storage temp.
- -15 °C · -15°C
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Compound notes
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