CAS 100930-11-8

Fórmula: C80H109N21O13S

InChI: InChI=1S/C80H109N21O13S/c1-45(2)37-61(73(108)92-57(69(85)104)32-36-115-3)97-76(111)65(41-49-44-91-56-25-12-9-21-52(49)56)100-74(109)62(38-46-17-5-4-6-18-46)98-77(112)64(40-48-43-90-55-24-11-8-20-51(48)55)99-72(107)58(28-30-67(83)102)93-71(106)59(29-31-68(84)103)94-78(113)66-27-16-35-101(66)79(114)60(26-13-14-33-81)95-75(110)63(39-47-42-89-54-23-10-7-19-50(47)54)96-70(105)53(82)22-15-34-88-80(86)87/h4-12,17-21,23-25,42-45,53,57-66,89-91H,13-16,22,26-41,81-82H2,1-3H3,(H2,83,102)(H2,84,103)(H2,85,104)(H,92,108)(H,93,106)(H,94,113)(H,95,110)(H,96,105)(H,97,111)(H,98,112)(H,99,107)(H,100,109)(H4,86,87,88)/t53-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-/m0/s1

Chave InChI: YKBGUHRGZVONNE-KXXNZUQNSA-N

SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)N

[D-Trp2,7,9] Substance P

CAS: 100930-11-8

[D-Trp2,7,9] Substance P blocks tachykinin receptors (NK-1, NK-2, NK-3) with Ki of 1, 1.3, and ~9 μM.

Fórmula: C₈₀H₁₀₉N₂₁O₁₃S

Peso molecular: 1604.92

Ref: TM-T76405