substance P, Sar(9)-Met(O2)(11)-
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Also Known As: Bhsar-SP|(Sar(9))SP sulfone|Tachykinin NK1|9-Sar-substance P sulfone|Substance P, sar(9) sulfone|[Sar9]SP sulfone|[Sar9]SP sulphone|Sarcosyl(9)-substance P sulfone|[Sar9,Met(O2)11]-SUBSTANCE P|9-Sar-11-met(O2)-substance P|(Sar(9),met(O2)(11))SP|[Sar9]substance P sulfone|[Sar9]substance P sulphone|Substance P, sar(9)-met(O2)(11)-|(Sar9,Met(O2)11)-Substance P|9-Sarcosyl-11-methionine(O2)-substance P|[Sar9,Met(O2)11]SP|[Sar9Met(O2)11]-Substance P|Bolton hunter-9-sar-11-met(02)-substance P|Sar9, Met (O2)11-Substance P|[sar9,met(o2)11]-substance-p|[Sar9,Met(O2)11]substance P|(Sar(9)kMet(O(2))(11))-substance P|Substance P [Sar9,Met(O2)11]|Substance P, sarcosyl(9)-methionine(O2)(11)-|H-RPKPQQFF(Sar)L(MetO2)-NH2|(Sar 9,Met(O2)11)-Substance P|[Sar9, Met(O2)11]-Substance P|[Sar-9, Met(O2)-11]-Substance P
| Molecular Formula | C64H100N18O15S |
|---|---|
| Molecular Weight | 1392.7336 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 553.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 42 |
| Exact Mass | 1392.7336 |
| Monoisotopic Mass | 1392.7336 |
| Heavy Atoms | 98 |
| Complexity | 2880.0 |
Chemical Identifiers
| CAS Number | 32604-86-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | OUPXSLGGCPUZJJ-SARDKLJWSA-N |
Product Overview
substance P, Sar(9)-Met(O2)(11)- (CAS 32604-86-7), with molecular formula C64H100N18O15S and molecular weight 1392.7336 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.