Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008484
PROPERTIES
| NPAID | NPA008484 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Propeptin |
| FORMULA | C113H142N26O27 |
| MOLECULAR WEIGHT (Da) | 2296.5340 |
| ACCURATE MASS (Da) | 2295.0538 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbispora |
| ORIGIN SPECIES | sp. |
| InChIKey | VIRBPQIAVNKZST-UHFFFAOYSA-N |
| InChI | InChI=1S/C113H142N26O27/c1-6-61(4)95(108(161)135-87(58-140)111(164)139-41-19-30-89(139)112(165)166)136-105(158)80(44-64-22-11-8-12-23-64)134-109(162)96(62(5)141)137-106(159)83(49-69-54-116-59-123-69)124-92(146)57-121-91(145)55-122-97(150)78(43-63-20-9-7-10-21-63)128-99(152)77(42-60(2)3)127-103(156)84-50-90(144)120-56-93(147)125-86(46-66-33-37-71(143)38-34-66)110(163)138-40-18-29-88(138)107(160)133-82(48-68-53-119-75-27-16-14-25-73(68)75)102(155)130-81(47-67-52-118-74-26-15-13-24-72(67)74)101(154)132-85(51-94(148)149)104(157)129-79(45-65-31-35-70(142)36-32-65)100(153)126-76(98(151)131-84)28-17-39-117-113(114)115/h7-16,20-27,31-38,52-54,59-62,76-89,95-96,118-119,140-143H,6,17-19,28-30,39-51,55-58H2,1-5H3,(H,116,123)(H,120,144)(H,121,145)(H,122,150)(H,124,146)(H,125,147)(H,126,153)(H,127,156)(H,128,152)(H,129,157)(H,130,155)(H,131,151)(H,132,154)(H,133,160)(H,134,162)(H,135,161)(H,136,158)(H,137,159)(H,148,149)(H,165,166)(H4,114,115,117) |
| SMILES | CCC(C)C(C(=O)NC(CO)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C(CC3=CNC=N3)NC(=O)CNC(=O)CNC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(C)C)NC(=O)C5CC(=O)NCC(=O)NC(C(=O)N6CCCC6C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N5)CCCNC(=N)N)CC7=CC=C(C=C7)O)CC(=O)O)CC8=CNC9=CC=CC=C98)CC1=CNC2=CC=CC=C21)CC1=CC=C(C=C1)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | ESUMI, YASUAKI; SUZUKI, YOSHIKATSU; ITOH, YUMIKO; URAMOTO, MASAKAZU; KIMURA, KEN-ICHI; GOTO, MASAAKI; YOSHIHAMA, MAKOTO; ICHIKAWA, TERUO Propeptin, a New Inhibitor of Prolyl Endopeptidase Produced by Microbispora. II. Determination of Chemical Structure Journal of Antibiotics 2002 55 (3) 296-300. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.55.296 | PMID | 12014445 |
