PHYLLOLITORIN ,87734-77-8 _Chemical Cloud Database

PHYLLOLITORIN

Basic Information
Product Name：	PHYLLOLITORIN
CAS：	87734-77-8
English Synonyms：	PELTAVGSPM-NH2 ; PHYLLOLITORIN ; (PGLU)(LEU)(TRP)(ALA)(VAL)(GLY)(SER)(PHE)(MET)-NH2
MDL Number.：	MFCD00145120
H bond acceptor：	22
H bond donor：	12
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]4CCC(=O)N4
InChi：	InChI=1S/C49H69N11O11S/c1-26(2)20-35(57-44(66)34-16-17-39(62)54-34)46(68)59-37(22-30-23-51-32-15-11-10-14-31(30)32)45(67)53-28(5)43(65)60-41(27(3)4)49(71)52-24-40(63)55-38(25-61)48(70)58-36(21-29-12-8-7-9-13-29)47(69)56-33(42(50)64)18-19-72-6/h7-15,23,26-28,33-38,41,51,61H,16-22,24-25H2,1-6H3,(H2,50,64)(H,52,71)(H,53,67)(H,54,62)(H,55,63)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,65)/t28-,33-,34-,35-,36-,37-,38-,41-/m0/s1
InChiKey：	InChIKey=UIMIJUUMRLISQI-CFFYGWOLSA-N

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