Substance P (3-11)

(2S)-N-[(2S)-5-amino-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

Also Known As: Substance P (3-11)|1-Des-arg-2-des-pro-substance P|Substance P, des-arg(1)-des-pro(2)-|SP(3-11)|Substance P, dearginyl(1)-deproline(2)-|Substance P, 1-de-L-arginine-2-de-L-proline-|(2S)-N-[(2S)-5-amino-1-[(2S)-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide|L-Methionyl-L-leucylglycyl-L-phenylalanyl-L-phenylalanyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-lysinamide

Molecular Formula	C52H79N13O11S
Molecular Weight	1093.5742 g/mol
LogP	-2.2404
Topological Polar Surface Area	405.32 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	14
Rotatable Bonds	35
Exact Mass	1093.5742
Monoisotopic Mass	1093.5742
Heavy Atoms	77
Complexity	2313.4736

Chemical Identifiers

CAS Number	51165-11-8
SMILES	CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCSC)N