NCS
中国新化学物质查询
[bAla8]-神经激肽A(4-10)([bAla8]-Neurokinin A(4-10))
m.w. 780.93 c35h56n8o10s, nk2 tachykinin recept
CAS号: 122063-01-8
IUPAC名称: (3S)-3-amino-4-[[(2S)-1-[[1-[[(2S)-1-[[3-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]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
分子式: C35H56N8O10S
分子量: 780.93200
InChI: InChI=1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-31(49)22(36)17-28(46)47/h6-10,19-20,22-26,29,44H,11-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24?,25?,26-,29-/m0/s1
InChIKey: CKNPSJOMUQBPLA-FMGAJUQSSA-N
SMILES: CC(C)CC(C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CCNC(=O)[C@H](C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
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