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5-Hydroxy-N-{1-hydroxy-1-[(1-hydroxy-1-{[2-hydroxy-2-({N-[1-hydroxy-4-methyl-2-(methylamino)pentylidene]methionyl}imino)ethyl]imino}-3-phenylpropan-2-yl)imino]-3-phenylpropan-2-yl}-3,4-dihydro-2H-pyrrole-2-carboximidic acid

HCID 196002
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
77160-86-2
Standard SMILES
CN[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
InChIKey
YZNNXTNXIKIONB-IIZANFQQSA-N
Molecular formula
C37H51N7O7S
Average molar mass
737.924 g/mol
Monoisotopic mass
737.35706797

Names & identifiers

Preferred name
5-Hydroxy-N-{1-hydroxy-1-[(1-hydroxy-1-{[2-hydroxy-2-({N-[1-hydroxy-4-methyl-2-(methylamino)pentylidene]methionyl}imino)ethyl]imino}-3-phenylpropan-2-yl)imino]-3-phenylpropan-2-yl}-3,4-dihydro-2H-pyrrole-2-carboximidic acid
IUPAC
(2S)-5-Hydroxy-N-[(2S)-1-hydroxy-1-{[(2S)-1-hydroxy-1-{[2-hydroxy-2-({N-[(2S)-1-hydroxy-4-methyl-2-(methylamino)pentylidene]-L-methionyl}imino)ethyl]imino}-3-phenylpropan-2-yl]imino}-3-phenylpropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid
English name
substance P (6-11), pGlu(6)-N-MeLeu(10)-
Molecular formula
C37H51N7O7S
Molecular weight
737.91

Names & synonyms

substance P (6-11), pGlu(6)-N-MeLeu(10)-L-Methioninamide, 5-oxo-L-prolyl-L-phenylalanyl-L-phenylalanylglycyl-N-methyl-L-leucyl- (9CI)

Database identifiers

CAS
77160-86-2
PubChem CID
196002
DTXSID
DTXSID60998419

Properties

Physicochemical properties

Boiling point
1152.7 · 1152.7±65.0 °C(Predicted)
Density
1.239 · 1.239±0.06 g/cm3(Predicted)
pka
13.25 · 13.25±0.20(Predicted)

Related reactions

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