alpha-Neurokinin;Neuromedin L;Substance K

3-[[2-[[6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[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]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Also Known As: NEUROKININ A|Substance K|Neuromedin L|Neurokinin alpha|Neuromedin L.|alpha-Neurokinin|Porcine neurokinin A|AC1L1JCK|Neurokinin A (alligator)|Neurokinin alpha (porcine)|Neuromedin L, Substance K|Neurokinin A (Python molurus)|Neurokinin A (pig spinal cord)|Neuromedin L (pig spinal cord)|PNK-4154-V|Neurokinin A, >=97% (HPLC)|Neurokinin alpha (pig spinal cord)||A-En(3/4)-(1/4) currencyeA|His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2|alpha-Neurokinin;Neuromedin L;Substance K|Neurokinin A (Human, Porcine, Rat, Mouse)|Q408566|NKA|3-(2-{6-amino-2-[2-amino-3-(1H-imidazol-4-yl)propanamido]hexanamido}-3-hydroxybutanamido)-3-({1-[(1-{[1-({[(1-{[1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-hydroxyethyl}carbamoyl)propanoic acid|3-[[2-[[6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-[[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]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid|3-[[2-[[6-amino-2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[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]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid|L-Methioninamide, L-histidyl-L-lysyl-L-threonyl-L-alpha-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-

Molecular Formula	C50H80N14O14S
Molecular Weight	1132.57 g/mol
LogP	-4.57
Topological Polar Surface Area	463.47 Ų
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	17
Rotatable Bonds	37
Exact Mass	1132.57
Heavy Atoms	79
Complexity	2328.1

Chemical Identifiers

CAS Number	86933-74-6
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(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N