| CAS Number | 86933-74-6 |
| Catalog Number | AG004I4X(AGN-PC-00N2TI) |
| Chemical Name | Neurokinin A |
| IUPAC Name | (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-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 |
| InChI | InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 |
| InChI Key | HEAUFJZALFKPBA-JPQUDPSNSA-N |
| MDL Number | MFCD00167560 |
| Molecular Formula | C50H80N14O14S |
| Molecular Weight | 1133.3206 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O |
| UNII | 94168F9W1D |
| Synonyms | Neurokinin A,
Neurokinin alpha,
Neuromedin L,
Substance K,
NEUROKININ A,
Substance K,
Neuromedin L,
Neurokinin alpha,
86933-74-6,
CHEMBL217406,
UNII-94168F9W1D,
94168F9W1D,
Neurokinin A (porcine),
NKA,
Porcine neurokinin A,
His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2,
Neurokinin A (alligator),
Neurokinin alpha (porcine),
Neurokinin A (Python molurus),
Neurokinin A (pig spinal cord),
Neuromedin L (pig spinal cord),
Neurokinin alpha (pig spinal cord),
AC1NSKEQ,
ALPHA NEUROKININ,
GTPL2089,
Neurokinin A (swine spinal cord),
BDBM50001447,
AKOS024456420,
Kassinin, 1-de-L-aspartic acid-2-de-L-valine-3-L-histidine-5-L-threonine-7-L-serine-,
L-Methioninamide, L-histidyl-L-lysyl-L-threonyl-L-alpha-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-,
His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH(2),
His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2(NeurokininA),
NEUROKININA,
D01NPA,
C50H80N14O14S,
CID5311311,
C50-H80-N14-O14-S,
D015288,
(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-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,
(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-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,
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