n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine
Basic information
- CAS
17445-48-6- Standard SMILES
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(CSCc1ccccc1)C(=O)O)OCc1ccccc1- InChIKey
SQQKSKNZVZCELS-UHFFFAOYSA-N- Molecular formula
- C29H29N3O5S
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.18279221
Names & identifiers
- Preferred name
- n-[(Benzyloxy)carbonyl]tryptophyl-s-benzylcysteine
- IUPAC
- 3-benzylsulfanyl-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Names & synonyms
17445-48-6n-[(benzyloxy)carbonyl]tryptophyl-s-benzylcysteineNSC80459DTXSID30292138NSC-80459
Database identifiers
- CAS
17445-48-6- PubChem CID
- 255183
- DTXSID
DTXSID30292138
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 771
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Related reactions
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Compound notes
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