17-Ala-phlhrh (14-36)
[CAS# 130888-39-0]

Identification

• Name: 17-Ala-phlhrh (14-36)
• Synonyms: Phgnrh (14-36), Ala(17)-; Phlhrh (14-36), Ala(17)-; Phlhrh (14-36), Alanine(17)-
• Molecular Formula: C₁₁₁H₁₇₇N₂₇O₄₃
• Molecular Weight: 2577.77
• CAS Registry Number: 130888-39-0
• SMILES: [C@H](C(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N)C(C)C)=O)=O)CCC(=O)N)=O)CC(C)C)=O)CC(=O)O)=O)CCC(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)[C@H](CC)C)=O)C(C)C)=O)CCCCN)=O)CCC(=O)OC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)O)=O)C)=O)CCC(=O)O)=O)C)=O)CC(C)C)=O)[C@H](CC)C)=O)CC(=O)O)=O)CO)=O)CC1=CC=CC=C1)=O)CCC(=O)N)=O)=O)=O)(NC([C@@H](N)[C@@H](C)O)=O)CCC(=O)N
• InChI: 1S/C111H177N27O43/c1-16-53(11)88(138-101(168)69(42-50(5)6)130-91(158)56(14)122-94(161)63(30-37-79(147)148)124-90(157)55(13)121-93(160)60(114)44-80(149)150)106(173)134-72(46-82(153)154)100(167)135-73(48-139)102(169)132-70(43-58-23-19-18-20-24-58)98(165)127-64(28-34-75(116)142)108(175)179-83(155)38-31-66(126-95(162)61(25-21-22-40-112)125-105(172)87(52(9)10)136-107(174)89(54(12)17-2)137-92(159)59(113)26-36-78(145)146)109(176)180-84(156)39-32-67(111(178)181-110(177)65(29-35-76(117)143)129-104(171)86(119)57(15)140)128-99(166)71(45-81(151)152)133-97(164)68(41-49(3)4)131-96(163)62(27-33-74(115)141)123-77(144)47-120-103(170)85(118)51(7)8/h18-20,23-24,49-57,59-73,85-89,139-140H,16-17,21-22,25-48,112-114,118-119H2,1-15H3,(H2,115,141)(H2,116,142)(H2,117,143)(H,120,170)(H,121,160)(H,122,161)(H,123,144)(H,124,157)(H,125,172)(H,126,162)(H,127,165)(H,128,166)(H,129,171)(H,130,158)(H,131,163)(H,132,169)(H,133,164)(H,134,173)(H,135,167)(H,136,174)(H,137,159)(H,138,168)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)/t53-,54-,55-,56+,57+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,85-,86-,87-,88-,89-/m0/s1
• InChIKey: FTKWOHHJLKADAW-XYUJJKTFSA-N