Basic information
- CAS
121850-02-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(N)=O- InChIKey
IMVXBBMHHNFUIY-WGLQCKHLSA-N- Molecular formula
- C26H41N5O7
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.30059866
Names & identifiers
- Preferred name
- Z-Asn-Sta-Ile-NH2
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(3S,4S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Names & synonyms
Z-Asn-Sta-Ile-NH2121850-02-0Carbamic acid, (3-amino-1-(((4-((1-(aminocarbonyl)-2-methylbutyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (1S-(1R*(R*),2R*,4(1R*,2R*)))-Carbamic acid, [3-amino-1-[[[4-[[1-(aminocarbonyl)-2-methylbutyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]amino]carbonyl]-3-oxopropyl]-, phenylmethyl ester, [1S-[1R*(R*),2R*,4(1R*,2R*)]]-DTXSID70153416Benzyl [(2S)-4-amino-1-{[(3S,4S)-1-{[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino}-1,4-dioxobutan-2-yl]carbamatebenzyl N-[(1S)-3-amino-1-[[(1S,2S)-4-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-3-oxo-propyl]carbamate
Database identifiers
- CAS
121850-02-0- PubChem CID
- 452602
- DTXSID
DTXSID70153416
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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