ALLOFERON 1 ,347884-61-1 _Chemical Cloud Database

ALLOFERON 1

Basic Information
Product Name：	ALLOFERON 1
CAS：	347884-61-1
English Synonyms：	HIS-GLY-VAL-SER-GLY-HIS-GLY-GLN-HIS-GLY-VAL-HIS-GLY ; H-HIS-GLY-VAL-SER-GLY-HIS-GLY-GLN-HIS-GLY-VAL-HIS-GLY-OH ; ALLOFERON 1 ; C ALCURONIUM CHLORIDE ; HGVSGHGQHGVHG
MDL Number.：	MFCD06656080
H bond acceptor：	38
H bond donor：	20
Smile：	CC(C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)N
InChi：	InChI=1S/C52H76N22O16/c1-25(2)43(51(89)71-35(10-30-14-58-24-67-30)48(86)63-19-42(81)82)74-41(80)18-61-47(85)34(9-29-13-57-23-66-29)70-50(88)32(5-6-37(54)76)68-38(77)15-60-46(84)33(8-28-12-56-22-65-28)69-39(78)16-62-49(87)36(20-75)72-52(90)44(26(3)4)73-40(79)17-59-45(83)31(53)7-27-11-55-21-64-27/h11-14,21-26,31-36,43-44,75H,5-10,15-20,53H2,1-4H3,(H2,54,76)(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,83)(H,60,84)(H,61,85)(H,62,87)(H,63,86)(H,68,77)(H,69,78)(H,70,88)(H,71,89)(H,72,90)(H,73,79)(H,74,80)(H,81,82)/t31-,32-,33-,34-,35-,36-,43-,44-/m0/s1
InChiKey：	InChIKey=XCAPMVINJNSTAF-WXPUDEETSA-N

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