Compound ID | 683

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Cypemycin

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Active against Micrococcus luteus and toxic against some tumour cell lines
Institute where first reported: Taiho Pharmaceuticals, Japan
Year first mentioned: 1994
Highest developmental phase: Preclinical
Development status: Inactive
Chemical structure(s):
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Molecular weight: 2146.56
Iso. SMILES: CC[C@H](C)[C@@H](C(=N[C@@H](CCC(=N)O)C(=NCC(=N[C@@H](CO)C(=N/C(=C/C)/C(=N[C@@H]([C@@H](C)CC)C(=N[C@H]1CS/C=C\N=C([C@@H](N=C([C@@H](N=C1O)CC(C)C)O)C(C)C)O)O)O)O)O)O)O)N=C([C@H](C(C)C)N=C([C@H](CC2=CC=CC=C2)N=C([C@H](CCC(=N)O)N=C([C@H](C)N=C([C@H](C(C)C)N=C(/C(=C/C)/N=C([C@H](CC3=CC=CC=C3)N=C(/C(=C/C)/N=C([C@H](C)N=C([C@@H]4CCCN4C(=O)/C(=C/C)/N=C([C@H](C)N(C)C)O)O)O)O)O)O)O)O)O)O)O
InChI Key: MXABZXILAJGOTL-AUYMZICSSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=N[C@H]1CS/C=C\N=C([C@H](C(C)C)N=C([C@H](CC(C)C)N=C1O)O)O)O)N=C(/C(=C\C)/N=C([C@H](CO)N=C(CN=C([C@H](CCC(=N)O)N=C([C@H]([C@@H](C)CC)N=C([C@H](C(C)C)N=C([C@H](CC2=CC=CC=C2)N=C([C@H](CCC(=N)O)N=C([C@H](C)N=C([C@H](C(C)C)N=C(/C(=C/C)/N=C([C@H](CC3=CC=CC=C3)N=C(/C(=C/C)/N=C([C@H](C)N=C([C@@H]4CCCN4C(=O)/C(=C/C)/N=C([C@H](C)N(C)C)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C103H156N24O24S/c1-22-57(15)82(102(150)120-74-52-152-46-44-106-98(146)79(54(9)10)121-93(141)70(47-53(7)8)117-96(74)144)124-90(138)66(26-5)113-95(143)73(51-128)110-78(131)50-107-87(135)68(40-42-76(104)129)116-101(149)83(58(16)23-2)125-100(148)81(56(13)14)123-94(142)72(49-63-37-32-29-33-38-63)119-91(139)69(41-43-77(105)130)115-85(133)60(18)109-99(147)80(55(11)12)122-89(137)65(25-4)112-92(140)71(48-62-35-30-28-31-36-62)118-88(136)64(24-3)111-84(132)59(17)108-97(145)75-39-34-45-127(75)103(151)67(27-6)114-86(134)61(19)126(20)21/h24-33,35-38,44,46,53-61,68-75,79-83,128H,22-23,34,39-43,45,47-52H2,1-21H3,(H2,104,129)(H2,105,130)(H,106,146)(H,107,135)(H,108,145)(H,109,147)(H,110,131)(H,111,132)(H,112,140)(H,113,143)(H,114,134)(H,115,133)(H,116,149)(H,117,144)(H,118,136)(H,119,139)(H,120,150)(H,121,141)(H,122,137)(H,123,142)(H,124,138)(H,125,148)/b46-44-,64-24-,65-25-,66-26+,67-27-/t57-,58-,59-,60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,79-,80-,81-,82-,83-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/101658256
Citations:
  • http://www.sciencedirect.com/science/article/pii/0040403994800332

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