ARLDVAAEFRKKWNKWALSR-NH2

CAS No.
CCD No.
CCD00230785
Formula
C112 H178 N36 O26
MolWeight
2444.86

Basic Information

Product Name: ARLDVAAEFRKKWNKWALSR-NH2
English Synonyms: PRO-ADRENOMEDULLIN (N-20), PORCINE ; PRO-ADRENOMEDULLIN N20, HUMAN ; ARLDVAAEFRKKWNKWALSR-NH2 ; PRODEPIN, PORCINE ; H-ALA-ARG-LEU-ASP-VAL-ALA-ALA-GLU-PHE-ARG-LYS-LYS-TRP-ASN-LYS-TRP-ALA-LEU-SER-ARG-NH2 ; ALA-ARG-LEU-ASP-VAL-ALA-ALA-GLU-PHE-ARG-LYS-LYS-TRP-ASN-LYS-TRP-ALA-LEU-SER-ARG-NH2
MDL Number.: MFCD01630761
H bond acceptor: 62
H bond donor: 39
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N
InChi: InChI=1S/C112H178N36O26/c1-57(2)47-78(103(168)147-85(56-149)108(173)133-71(90(118)155)36-24-44-125-110(119)120)140-94(159)63(10)131-101(166)81(50-65-54-128-69-31-16-14-29-67(65)69)143-98(163)74(35-20-23-43-115)138-106(171)83(52-86(117)150)145-105(170)82(51-66-55-129-70-32-17-15-30-68(66)70)144-97(162)73(34-19-22-42-114)137-95(160)72(33-18-21-41-113)136-96(161)76(38-26-46-127-112(123)124)139-104(169)80(49-64-27-12-11-13-28-64)142-100(165)77(39-40-87(151)152)135-93(158)62(9)130-92(157)61(8)132-109(174)89(59(5)6)148-107(172)84(53-88(153)154)146-102(167)79(48-58(3)4)141-99(164)75(134-91(156)60(7)116)37-25-45-126-111(121)122/h11-17,27-32,54-55,57-63,71-85,89,128-129,149H,18-26,33-53,56,113-116H2,1-10H3,(H2,117,150)(H2,118,155)(H,130,157)(H,131,166)(H,132,174)(H,133,173)(H,134,156)(H,135,158)(H,136,161)(H,137,160)(H,138,171)(H,139,169)(H,140,159)(H,141,164)(H,142,165)(H,143,163)(H,144,162)(H,145,170)(H,146,167)(H,147,168)(H,148,172)(H,151,152)(H,153,154)(H4,119,120,125)(H4,121,122,126)(H4,123,124,127)/t60-,61-,62-,63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1
InChiKey: InChIKey=GRNQGTNQVRQGBU-JFWQOLSLSA-N

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