Basic information
- CAS
71033-95-9- Standard SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.Cl- InChIKey
SYPHOMSYAKPQCV-VHRXPJTKSA-N- Molecular formula
- C58H81ClN14O13
- Average molar mass
- 1,217.8 g/mol
- Monoisotopic mass
- 1,216.5796064
Names & identifiers
- Preferred name
- Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride
Names & synonyms
71033-95-9Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)CHEMBL3273277DTXSID10221269N-[(Benzyloxy)carbonyl]-L-leucyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-prolylglycinamide--hydrogen chloride (1/1)
Database identifiers
- CAS
71033-95-9- PubChem CID
- 3054259
- DTXSID
DTXSID10221269- ChEMBL
CHEMBL3273277
Properties
Computed structural properties
- Topological polar surface area
- 426 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 33
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 2,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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