Basic information
- CAS
143738-75-4- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N=CC=O- InChIKey
AKHJRENTTNMUBB-BTNSXGMBSA-N- Molecular formula
- C32H52N8O8
- Average molar mass
- 676.8 g/mol
- Monoisotopic mass
- 676.39081065
Names & identifiers
- Preferred name
- (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-(2-oxoethylidenecarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-(2-oxoethylidenecarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
- English name
- (2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]-N-[[ (1S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-((E)-2-oxoethylidenecarbamoyl)p yrrolidin-1-yl]pentan-2-yl]carbamoyl]ethyl]carbamoylmethyl]pyrrolidine -2-carboxamide
- Molecular formula
- C32H52N8O8
- Molecular weight
- 676.81
Names & synonyms
143738-75-4(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]-N-[2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-(2-oxoethylidenecarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamidec(Alpg)2Cyclo(ala-leu-pro-gly)2Cyclo(alanyl-leucyl-prolyl-glycyl)2(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]-N-[[ (1S)-1-[[(2S)-4-methyl-1-oxo-Cyclo(L-alanyl-L-leucyl-L-prolylglycyl-L-alanyl-L-leucyl-L-prolylglycycl)(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]-N-[[ (1S)-1-[[(2S)-4-methyl-1-oxo-1-[(2S)-2-((E)-2-oxoethylidenecarbamoyl)p yrrolidin-1-yl]pentan-2-yl]carbamoyl]ethyl]carbamoylmethyl]pyrrolidine -2-carboxamide
Database identifiers
- CAS
143738-75-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- Boiling point
- 1128.331 · 1128.331±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.082 · 13.082±0.70(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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