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Basic information
- CAS
139346-17-1- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1C=CCN1C(=O)[C@H](N)CS(=O)(=O)O)C(C)C)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12- InChIKey
HYNSSBPBTFFZKW-OUPFVLIJSA-N- Molecular formula
- C30H42N6O8S
- Average molar mass
- 646.8 g/mol
- Monoisotopic mass
- 646.27848349
Names & identifiers
- Preferred name
- Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)
- IUPAC
- (2S)-2-amino-3-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-2,5-dihydropyrrol-1-yl]-3-oxopropane-1-sulfonic acid
- English name
- cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)
- Molecular formula
- C30H42N6O8S
- Molecular weight
- 646.75
Names & synonyms
Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl)Cyclo(sal-pro-val-leu-trp-)139346-17-1BQ-153c(D-Trp-D-cys(SO3-Na+)-pro-D-val-leu)DTXSID60161025Cyclo(3-sulfo-D-alanyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)RefChem:129311DTXCID3083516BQ 153Cyclo(D-sal-L-pro-D-val-L-leu-D-trp-)SCHEMBL29392851
Show more names
N-{(2S)-1-[(2S)-2-Amino-3-sulfopropanoyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-D-valyl-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-L-leucinamide
Database identifiers
- CAS
139346-17-1- PubChem CID
- 196897
- DTXSID
DTXSID60161025
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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