Name: | RES-701-1 |
CAS: | 151308-34-8 |
Synonyms: | CYCLO(-GLY-ASN-TRP-HIS-GLY-THR-ALA-PRO-ASP)-TRP-PHE-PHE-ASN-TYR-TYR-TRP-OH ; GNWHGTAPDWFFNYYW ; RES-701-1 ; GLY-ASN-TRP-HIS-GLY-THR-ALA-PRO-ASP-TRP-PHE-PHE-ASN-TYR-TYR-TRP-OH ; GLY-ASN-TRP-HIS-GLY-THR-ALA-PRO-ASP-TRP-PHE-PHE-ASN-TYR-TYR-TRP |
MDL.: | MFCD00924333 |
H bond acceptor: | 46 |
H bond donor: | 25 |
Smile: | C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)[C@H](C)O)Cc3cnc[nH]3)Cc4c[nH]c5c4cccc5)CC(=O)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O |
InChi: | InChI=1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-86(132)110-51-87(133)114-79(44-84(104)130)97(142)119-77(41-61-48-108-70-24-13-10-21-67(61)70)96(141)121-78(43-63-50-106-53-112-63)90(135)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-76(40-60-47-107-69-23-12-9-20-66(60)69)95(140)117-72(36-56-16-5-3-6-17-56)91(136)115-73(37-57-18-7-4-8-19-57)93(138)122-80(45-85(105)131)98(143)118-74(38-58-27-31-64(128)32-28-58)92(137)116-75(39-59-29-33-65(129)34-30-59)94(139)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,131)(H,106,112)(H,110,132)(H,111,135)(H,113,146)(H,114,133)(H,115,136)(H,116,137)(H,117,140)(H,118,143)(H,119,142)(H,120,144)(H,121,141)(H,122,138)(H,123,145)(H,124,139)(H,125,134)(H,148,149)/t54-,55-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1 |
InChiKey: | InChIKey=XIIPOLLCNQAOCP-CLVWZLAUSA-N |
RES-701-1
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