AC1N7XAD

N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(pyrrolidine-2-carbonylamino)pentanediamide

Also Known As: Pttnl-SP(4-11)|D-Pro-Gln-Gln-D-Trp-Phe-D-Trp-Leu-Nle-NH2|4-Pro-7,9-trp-11-nle-substance P (4-11)|[DPro4,DTrp7,9,Nle11] Substance P (4-11)|[D-Pro4,D-Trp7,9,Nle11]-Substance P (4-11)|Substance P (4-11), pro(4)-trp(7,9)-nle(11)-|[D-Pro4, D-Trp7,9, Nle11]-Substance P Fragment 4-11|4-Prolyl-7,9-tryptophyl-11-norleucine-substance P (4-11)|N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(pyrrolidine-2-carbonylamino)pentanediamide|Substance P (4-11), prolyl (4)-tryptophyl(7,9)-norleucine(11)-|[D-Pro4, D-Trp7,9, Nle11]-Substance P Fragment 4-11, >=95% (HPLC)

Molecular Formula	C58H77N13O10
Molecular Weight	1115.5917 g/mol
LogP	1.0753
Topological Polar Surface Area	376.58 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	11
Rotatable Bonds	32
Exact Mass	1115.5917
Monoisotopic Mass	1115.5917
Heavy Atoms	81
Complexity	3007.487

Chemical Identifiers

CAS Number	89430-34-2
SMILES	CCCCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6