600171-68-4

ORPHAN GPCR SP9155 AGONIST P518

ORPHAN GPCR SP9155 AGONIST P518

CAS No.: 600171-68-4
CCD No.: CCD01268320
Formula: C127 H194 N36 O38
MolWeight: 2833.14

Basic Information
Product Name：	ORPHAN GPCR SP9155 AGONIST P518
CAS：	600171-68-4
English Synonyms：	THR-SER-GLY-PRO-LEU-GLY-ASN-LEU-ALA-GLU-GLU-LEU-ASN-GLY-TYR-SER-ARG-LYS-LYS-GLY-GLY-PHE-SER-PHE-ARG-PHE ; ORPHAN GPCR SP9155 AGONIST P518
MDL Number.：	MFCD11655991
H bond acceptor：	74
H bond donor：	43
Smile：	CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccccc4)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)N
InChi：	InChI=1S/C127H194N36O38/c1-66(2)49-82(158-123(198)94-35-24-48-163(94)101(175)62-143-109(184)91(63-164)162-124(199)104(132)70(8)167)107(182)141-61-100(174)147-89(57-96(131)170)120(195)155-83(50-67(3)4)115(190)144-69(7)105(180)148-80(40-42-102(176)177)113(188)153-81(41-43-103(178)179)114(189)154-84(51-68(5)6)116(191)157-88(56-95(130)169)108(183)142-60-99(173)146-86(54-74-36-38-75(168)39-37-74)118(193)160-92(64-165)121(196)152-78(33-22-46-137-126(133)134)111(186)150-77(32-19-21-45-129)110(185)149-76(31-18-20-44-128)106(181)140-58-97(171)139-59-98(172)145-85(52-71-25-12-9-13-26-71)117(192)161-93(65-166)122(197)156-87(53-72-27-14-10-15-28-72)119(194)151-79(34-23-47-138-127(135)136)112(187)159-90(125(200)201)55-73-29-16-11-17-30-73/h9-17,25-30,36-39,66-70,76-94,104,164-168H,18-24,31-35,40-65,128-129,132H2,1-8H3,(H2,130,169)(H2,131,170)(H,139,171)(H,140,181)(H,141,182)(H,142,183)(H,143,184)(H,144,190)(H,145,172)(H,146,173)(H,147,174)(H,148,180)(H,149,185)(H,150,186)(H,151,194)(H,152,196)(H,153,188)(H,154,189)(H,155,195)(H,156,197)(H,157,191)(H,158,198)(H,159,187)(H,160,193)(H,161,192)(H,162,199)(H,176,177)(H,178,179)(H,200,201)(H4,133,134,137)(H4,135,136,138)/t69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,104-/m0/s1
InChiKey：	InChIKey=MLYPFGRTAAPWHZ-LYWJTYPKSA-N

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