Neurokinin B

3-amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Also Known As: Neurokinin B|Neurokinin beta|Neuromedin K|beta-Neurokinin|Porcine neurokinin B||A-Neurokinin|NEUROKININ K|Neurokinin B (porchine)|AC1L1JCN|Neurokinin B (pig spinal cord)|Neuromedin K (pig spinal cord)|Neurokinin beta (pig spinal cord)|Neurokinin B (swine spinal cord)|PNP-4317-V|Neurokinin B, >=95% (HPLC)|Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2|CAS_86933-75-7|L000917|Q412604|Neurokinin B (Human, Porcine, Bovine, Rat, Mouse)|Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2, Neuromedin K|L-Methioninamide, L-alpha-aspartyl-L-methionyl-L-histidyl-L-alpha-aspartyl-L-phenylalanyl-L-phenylalanyl-L-valylglycyl-L-leucyl-|Kassinin, 2-L-methionine-3-L-histidine-4-de-L-lysine-5-de-L-serine-7-L-phenylalanine-|3-amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid|NKB|3-amino-3-({1-[(1-{[1-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl)carbamoyl]-3-(methylsulfanyl)propyl}carbamoyl)propanoic acid|3-amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid|3-amino-4-[[1-[[2-[[2-[[1-benzyl-2-[[1-benzyl-2-[[1-[[2-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-4-oxo-butanoic acid

Molecular Formula	C55H79N13O14S2
Molecular Weight	1209.5311 g/mol
LogP	-1.6
Topological Polar Surface Area	434.29 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	16
Rotatable Bonds	38
Exact Mass	1209.5311
Heavy Atoms	84
Complexity	2688.8

Chemical Identifiers

CAS Number	86933-75-7
SMILES	CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N