Basic information
- CAS
77160-85-1- Standard SMILES
CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@@H]1CCC(=O)N1- InChIKey
FENXCFFAHGRCAH-IIZANFQQSA-N- Molecular formula
- C37H51N7O7S
- Average molar mass
- 737.9 g/mol
- Monoisotopic mass
- 737.35706816
Names & identifiers
- Preferred name
- Substance P (6-11), pglu(6)-N-mephe(7)-
- IUPAC
- (2S)-N-[(2S)-2-[[(2S)-4-methyl-2-[[2-[[(2S)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]-5-oxopyrrolidine-2-carboxamide
- English name
- substance P (6-11), pGlu(6)-N-MePhe(7)-
- Molecular formula
- C37H51N7O7S
- Molecular weight
- 737.91
Names & synonyms
GMPSP77160-85-16-Pglu-7-N-mephe-substance P (6-11)Substance P (6-11), pglu(6)-N-mephe(7)-Substance P(6-11), pyroglutamyl(6)-N-methylphenylalanine(7)-L-Methioninamide, 5-oxo-L-prolyl-N-methyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-RefChem:186289(2S)-N-[(2S)-2-[[(2S)-4-methyl-2-[[2-[[(2S)-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]-5-oxopyrrolidine-2-carboxamideDTXSID00998418Substance P (6-11), pyroglutamyl(6)-N-methylphenylalanine(7)-(2S)-N-{N-[(3S,6S,12S)-3,6-Dibenzyl-4,7,10,13-tetrahydroxy-12-(2-methylpropyl)-2,5,8,11-tetraazatrideca-4,7,10-trien-13-ylidene]-L-methionyl}-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acidN-{N-[3,6-Dibenzyl-4,7,10,13-tetrahydroxy-12-(2-methylpropyl)-2,5,8,11-tetraazatrideca-4,7,10-trien-13-ylidene]methionyl}-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid
Show more names
L-Methioninamide, 5-oxo-L-prolyl-N-methyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- (9CI)
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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