OBESTATIN, HUMAN

CAS No.
1081110-72-6
CCD No.
CCD00659503
Formula
C116 H176 N32 O33
MolWeight
2546.86

Basic Information

Product Name: OBESTATIN, HUMAN
CAS: 1081110-72-6
English Synonyms: OBESTATIN, HUMAN ; OBESTATIN ; OBESTATIN (HUMAN, MONKEY) ; PHE-ASN-ALA-PRO-PHE-ASP-VAL-GLY-ILE-LYS-LEU-SER-GLY-VAL-GLN-TYR-GLN-GLN-HIS-SER-GLN-ALA-LEU-NH2 ; FNAPFDVGIKLSGVQYQQHSQAL-NH2 ; H-PHE-ASN-ALA-PRO-PHE-ASP-VAL-GLY-ILE-LYS-LEU-SER-GLY-VAL-GLN-TYR-GLN-GLN-HIS-SER-GLN-ALA-LEU-NH2
MDL Number.: MFCD08458633
H bond acceptor: 65
H bond donor: 34
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC(CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc5ccccc5)N
InChi: InChI=1S/C116H176N32O33/c1-13-61(10)95(146-91(158)53-127-113(178)93(59(6)7)147-110(175)81(50-92(159)160)141-108(173)78(46-65-25-18-15-19-26-65)142-112(177)84-28-22-42-148(84)116(181)63(12)130-105(170)80(49-89(123)156)137-98(163)69(118)45-64-23-16-14-17-24-64)115(180)134-70(27-20-21-41-117)101(166)138-76(44-58(4)5)106(171)143-82(54-149)99(164)126-52-90(157)145-94(60(8)9)114(179)135-74(36-40-88(122)155)104(169)139-77(47-66-29-31-68(151)32-30-66)107(172)132-72(34-38-86(120)153)102(167)131-73(35-39-87(121)154)103(168)140-79(48-67-51-125-56-128-67)109(174)144-83(55-150)111(176)133-71(33-37-85(119)152)100(165)129-62(11)97(162)136-75(96(124)161)43-57(2)3/h14-19,23-26,29-32,51,56-63,69-84,93-95,149-151H,13,20-22,27-28,33-50,52-55,117-118H2,1-12H3,(H2,119,152)(H2,120,153)(H2,121,154)(H2,122,155)(H2,123,156)(H2,124,161)(H,125,128)(H,126,164)(H,127,178)(H,129,165)(H,130,170)(H,131,167)(H,132,172)(H,133,176)(H,134,180)(H,135,179)(H,136,162)(H,137,163)(H,138,166)(H,139,169)(H,140,168)(H,141,173)(H,142,177)(H,143,171)(H,144,174)(H,145,157)(H,146,158)(H,147,175)(H,159,160)/t61-,62-,63-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83?,84-,93-,94-,95-/m0/s1
InChiKey: InChIKey=IXQOGPZNKNSCJR-DYLIEAOXSA-N

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