Basic information
- CAS
121822-73-9- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(N)=O- InChIKey
KWPOAFQJDJJKQD-LKLZPQJISA-N- Molecular formula
- C32H42N6O8
- Average molar mass
- 638.7 g/mol
- Monoisotopic mass
- 638.3064123
Names & identifiers
- Preferred name
- L-Isoleucinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-L-tyrosyl-D-prolyl-
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(2S)-1-[(2R)-2-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Names & synonyms
Asn-Tyr-D-Pro-Ile-NH2121822-73-9L-Isoleucinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-L-tyrosyl-D-prolyl-L-Isoleucinamide, N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-L-tyrosyl-D-prolyl-Z-Asn-Tyr-D-Pro-Ile-NH2BzOC-Asn-Tyr-D-Pro-Ile-NH2DTXSID90153377Z-Asn-Tyr-D-Pro-Ile-NH2; BzOC-Asn-Tyr-D-Pro-Ile-NH2N~2~-[(Benzyloxy)carbonyl]-L-asparaginyl-L-tyrosyl-D-prolyl-L-isoleucinamide{(S)-2-Carbamoyl-1-[(S)-2-[(R)-2-((1S,2S)-1-carbamoyl-2-methyl-butylcarbamoyl)-pyrrolidin-1-yl]-1-(4-hydroxy-benzyl)-2-oxo-ethylcarbamoyl]-ethyl}-carbamic acid benzyl ester
Database identifiers
- CAS
121822-73-9- PubChem CID
- 452609
- DTXSID
DTXSID90153377
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…