SPANTIDE III

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Name：	SPANTIDE III
CAS：	154427-06-2
Synonyms：	H-D-LYS(NICOTINOYL)-PRO-BETA-(3-PYRIDYL)-ALA-PRO-3,4-DICHLORO-D-PHE-ASN-D-TRP-PHE-BETA-(3-PYRIDYL)-D-ALA-LEU-NLE-NH2 ; (D-LYS(NICOTINOYL)1,BETA-(3-PYRIDYL)-ALA3,3,4-DICHLORO-D-PHE5,ASN6,D-TRP7,BETA-(3-PYRIDYL)-D-ALA9,NLE11)-SUBSTANCE P ; SPANTIDE III
MDL.：	MFCD00672739
H bond acceptor：	31
H bond donor：	13
Smile：	CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](Cc5ccc(c(c5)Cl)Cl)NC(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7cccnc7)NC(=O)[C@@H]8CCCN8C(=O)[C@@H](CCCCNC(=O)c9cccnc9)N
InChi：	InChI=1S/C83H102Cl2N18O13/c1-4-5-25-61(72(88)105)94-74(107)62(37-49(2)3)95-77(110)65(41-52-20-13-31-89-45-52)97-75(108)63(39-50-18-7-6-8-19-50)96-78(111)66(43-55-48-93-60-26-10-9-23-56(55)60)98-79(112)67(44-71(87)104)99-76(109)64(40-51-29-30-57(84)58(85)38-51)100-80(113)70-28-17-36-103(70)83(116)68(42-53-21-14-32-90-46-53)101-81(114)69-27-16-35-102(69)82(115)59(86)24-11-12-34-92-73(106)54-22-15-33-91-47-54/h6-10,13-15,18-23,26,29-33,38,45-49,59,61-70,93H,4-5,11-12,16-17,24-25,27-28,34-37,39-44,86H2,1-3H3,(H2,87,104)(H2,88,105)(H,92,106)(H,94,107)(H,95,110)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H,100,113)(H,101,114)/t59-,61+,62+,63+,64-,65-,66-,67+,68+,69+,70+/m1/s1
InChiKey：	InChIKey=DNPPKUZASAWMDK-VUWIBSRJSA-N

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