N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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![N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7a31a9604ba34d32ab51c43028bc6305.png "N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide")
N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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CAS No:
98900-29-9
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Formula:
C36H50N6O7S
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Chemical Name:
N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
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Synonyms:
6-pGlu-8-Phe-psi-(methyleneoxy)-9-Gly-substance P (6-11);pGlu-Phe-CH2O-Gly-SP (6-11);substance P (6-11), pGlu(6)-Phe(8)-psi-(methyleneoxy)-Gly(9)-;substance P (6-11), pyroglutamyl(6)-phenylalanyl(8)-psi-(methyleneoxy)-glycine(9)-;98900-29-9;DTXSID60912993;Pglu-phe-CH2O-gly-SP (6-11);Substance P (6-11), pglu(6)-phe(8)-psi-(methyleneoxy)-gly(9)-;6-Pglu-8-phe-psi-(methyleneoxy)-9-gly-substance P (6-11);Substance P (6-11), pyroglutamyl(6)-phenylalanyl(8)-psi-(methyleneoxy)-glycine(9)-;L-Methioninamide, N-((2-((N-(5-oxo-L-prolyl)-L-phenylalanyl)amino)-3-phenylpropoxy)acetyl)-L-leucyl-, (S)-;N-{14-Benzyl-8-(butan-2-yl)-7,10,16-trihydroxy-5-[hydroxy(imino)methyl]-18-phenyl-12-oxa-2-thia-6,9,15-triazaoctadeca-6,9,15-trien-17-yl}-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid
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CAS No:
N-[1-[[1-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide Basic Attributes
710.9 g/mol
710.34616913 g/mol
Computed Properties
Molecular Weight:710.9
XLogP3:2.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:21
Exact Mass:710.34616913
Monoisotopic Mass:710.34616913
Topological Polar Surface Area:223
Heavy Atom Count:50
Complexity:1130
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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