A(4-24)(F23A)H2   

GtoPdb Ligand ID: 8349

Comment: Synthetic analogue of the A chain of human relaxin.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS
Isomeric SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS
InChI InChI=1S/C87H154N32O26S4/c1-39(2)26-53(110-67(126)42(7)101-70(129)48(90)32-120)75(134)104-44(9)68(127)111-56(29-62(91)123)77(136)108-49(18-12-14-22-88)74(133)115-60(36-148)81(140)116-59(35-147)80(139)113-55(28-47-30-96-38-100-47)78(137)118-64(41(5)6)83(142)99-31-63(124)105-58(34-146)82(141)119-65(46(11)122)84(143)109-50(19-13-15-23-89)72(131)107-52(21-17-25-98-87(94)95)73(132)114-57(33-121)79(138)112-54(27-40(3)4)76(135)103-43(8)66(125)106-51(20-16-24-97-86(92)93)71(130)102-45(10)69(128)117-61(37-149)85(144)145/h30,38-46,48-61,64-65,120-122,146-149H,12-29,31-37,88-90H2,1-11H3,(H2,91,123)(H,96,100)(H,99,142)(H,101,129)(H,102,130)(H,103,135)(H,104,134)(H,105,124)(H,106,125)(H,107,131)(H,108,136)(H,109,143)(H,110,126)(H,111,127)(H,112,138)(H,113,139)(H,114,132)(H,115,133)(H,116,140)(H,117,128)(H,118,137)(H,119,141)(H,144,145)(H4,92,93,97)(H4,94,95,98)/t42-,43-,44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
InChI Key JPICFXXNKSFHNE-FHWINVSDSA-N
Classification
Compound class Peptide or derivative
Database Links
GtoPdb PubChem SID 252166561
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Search UniChem for chemicals with the same backbone JPICFXXNKSFHNE