PBP 10 ,794466-43-6 _Chemical Cloud Database

PBP 10

Basic Information
Product Name：	PBP 10
CAS：	794466-43-6
English Synonyms：	RHODAMINE B-QRLFQVKGRR-OH ; PBP 10 ; RHOB-GS160-169
MDL Number.：	MFCD04974530
H bond acceptor：	39
H bond donor：	23
Smile：	CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N(CC)CC.[Cl-]
InChi：	InChI=1S/C84H126N24O15.ClH/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93;/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122);1H/t57-,58-,59-,60-,61-,62-,63-,64-,71-;/m0./s1
InChiKey：	InChIKey=XKUIQFSLYNIFAC-XADHZNKISA-N

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