H-VAL-ASP-LYS-PRO-ASP-TYR-ARG-PRO-ARG-PRO-TRP-PRO-ARG-PRO-ASN-OH

CAS No.
CCD No.
CCD01020571
Formula
C86 H129 N27 O22
MolWeight
1893.13

Basic Information

Product Name: H-VAL-ASP-LYS-PRO-ASP-TYR-ARG-PRO-ARG-PRO-TRP-PRO-ARG-PRO-ASN-OH
English Synonyms: METALNIKOWIN IIA ; METALNIKOWIN-2A ; H-VAL-ASP-LYS-PRO-ASP-TYR-ARG-PRO-ARG-PRO-TRP-PRO-ARG-PRO-ASN-OH ; VDKPDYRPRP WPRPN
MDL Number.: MFCD11113676
H bond acceptor: 49
H bond donor: 26
Smile: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5cc6ccccc6[nH]5)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChi: InChI=1S/C86H129N27O22/c1-45(2)68(89)77(128)106-57(44-67(118)119)70(121)100-51(17-5-6-30-87)78(129)110-35-11-23-62(110)74(125)105-56(43-66(116)117)71(122)104-55(39-46-26-28-49(114)29-27-46)69(120)101-52(18-7-31-96-84(90)91)79(130)109-34-10-21-60(109)72(123)102-53(19-8-32-97-85(92)93)80(131)111-36-12-24-63(111)75(126)107-58(41-48-40-47-15-3-4-16-50(47)99-48)82(133)113-38-14-22-61(113)73(124)103-54(20-9-33-98-86(94)95)81(132)112-37-13-25-64(112)76(127)108-59(83(134)135)42-65(88)115/h3-4,15-16,26-29,40,45,51-64,68,99,114H,5-14,17-25,30-39,41-44,87,89H2,1-2H3,(H2,88,115)(H,100,121)(H,101,120)(H,102,123)(H,103,124)(H,104,122)(H,105,125)(H,106,128)(H,107,126)(H,108,127)(H,116,117)(H,118,119)(H,134,135)(H4,90,91,96)(H4,92,93,97)(H4,94,95,98)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63-,64-,68-/m0/s1
InChiKey: InChIKey=BDLCOSLGFTUDJC-OAIBJNQZSA-N

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