Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O- InChIKey
QWYQANIDVNALCS-KSVANVSISA-N- Molecular formula
- C59H80N18O15
- Average molar mass
- 1,281.4 g/mol
- Monoisotopic mass
- 1,280.60505392
Names & identifiers
- Preferred name
- pGlu--His--Trp--Ser--Tyr--Gly--Leu--Arg--Pro--Gly--NH2
- IUPAC
- (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
CHEMBL265775BDBM50180788pGlu--His--Trp--Ser--Tyr--Gly--Leu--Arg--Pro--Gly--NH2
Database identifiers
- PubChem CID
- 44406784
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 532 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 36
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 2,560
Related reactions
1 records
Compound notes
Loading…