Basic information
- CAS
84030-23-9- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1- InChIKey
KECPXLPOXOPMJF-DQEYMECFSA-N- Molecular formula
- C29H39N3O6
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.28388597
Names & identifiers
- Preferred name
- Benzyl N-(N-(N-((benzyloxy)carbonyl)-L-leucyl)glycyl)-L-leucinate
- IUPAC
- benzyl (2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetyl]amino]pentanoate
- English name
- benzyl N-[N-[N-[(benzyloxy)carbonyl]-L-leucyl]glycyl]-L-leucinate
- Molecular formula
- C29H39N3O6
- Molecular weight
- 525.63646
Names & synonyms
EINECS 281-794-884030-23-9Benzyl N-(N-(N-((benzyloxy)carbonyl)-L-leucyl)glycyl)-L-leucinateKECPXLPOXOPMJF-DQEYMECFSA-NDTXSID301004315NS00060454(2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(2-{[(2S)-1-(benzyloxy)-4-methyl-1-oxopentan-2-yl]imino}-2-hydroxyethyl)-4-methylpentanimidic acid2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(2-{[1-(benzyloxy)-4-methyl-1-oxopentan-2-yl]imino}-2-hydroxyethyl)-4-methylpentanimidic acidCbz-L-Leu-Gly-L-Leu-OBzlbenzyl N-[N-[N-[(benzyloxy)carbonyl]-L-leucyl]glycyl]-L-leucinateL-Leucine,N-[N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]glycyl]-, phenylmethyl ester (9CI)
Database identifiers
- CAS
84030-23-9- PubChem CID
- 44153246
- DTXSID
DTXSID301004315- EC Number
- 281-794-8
- Nikkaji
- J297.437A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 745
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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