(TYR0)-KALIURETIC PEPTIDE (HUMAN)

309245-24-7

MFCD00079815

C103 H180 N32 O30

2346.75

InChI=1S/C103H180N32O30/c1-50(2)39-67(125-81(145)56(12)117-93(157)73(46-136)131-86(150)65(26-20-36-114-102(109)110)121-91(155)72(45-78(142)143)129-95(159)76(49-139)133-96(160)74(47-137)130-82(146)61(106)44-59-29-31-60(141)32-30-59)89(153)127-70(42-53(7)8)88(152)119-63(24-16-18-34-105)85(149)132-75(48-138)94(158)122-62(23-15-17-33-104)84(148)126-69(41-52(5)6)87(151)120-64(25-19-35-113-101(107)108)83(147)116-55(11)80(144)124-68(40-51(3)4)90(154)128-71(43-54(9)10)92(156)134-79(58(14)140)98(162)118-57(13)99(163)135-38-22-28-77(135)97(161)123-66(100(164)165)27-21-37-115-103(111)112/h29-32,50-58,61-77,79,136-141H,15-28,33-49,104-106H2,1-14H3,(H,116,147)(H,117,157)(H,118,162)(H,119,152)(H,120,151)(H,121,155)(H,122,158)(H,123,161)(H,124,144)(H,125,145)(H,126,148)(H,127,153)(H,128,154)(H,129,159)(H,130,146)(H,131,150)(H,132,149)(H,133,160)(H,134,156)(H,142,143)(H,164,165)(H4,107,108,113)(H4,109,110,114)(H4,111,112,115)/t55-,56-,57-,58+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,79-/m0/s1

InChIKey=RTJRAIDKPSMHKQ-QILSBOMXSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(cc2)O)N

pro_donors:39

pro_acceptors:62

XLogP3:0.0

Bulk/Fine:F