Chem
J-GLOBAL ID:200907007752350994
Nikkaji number:J1.307.919F
Promothiocin A
プロモチオシンA
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C36 H37 N11 O8 S2
Molecular formula furigana:
C36-H37-N11-O8-S2
Molecular weight:
815.880
InChI:
InChI=1S/C36H37N11O8S2/c1-13(2)24-32(52)38-10-23-45-26(18(7)54-23)33(53)41-16(5)35-43-21(11-56-35)30(50)40-15(4)34-47-25(17(6)55-34)27-19(36-44-22(12-57-36)31(51)46-24)8-9-20(42-27)29(49)39-14(3)28(37)48/h8-9,11-13,15-16,24H,3,10H2,1-2,4-7H3,(H2,37,48)(H,38,52)(H,39,49)(H,40,50)(H,41,53)(H,46,51)/t15-,16-,24-/m0/s1
InChI key:
OUTWOIXDJMCBPB-YWTKSJFSSA-N
SMILES:
CC(C)[C@@H]1NC(=O)c2csc(n2)c2ccc(nc2c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](C)NC(=O)c2nc(CNC1=O)oc2C)C(=O)NC(=C)C(=O)N
Systematic name (3):
(3S)-3α-イソプロピル-13-(1-カルバモイルエテニルカルバモイル)-17,20α,27α,31-テトラメチル-6,9:16,19:23,26:30,33-テトラニトリロ-10,15-シクロ-18,32-ジオキサ-8,25-ジチア-1,4,14,21,28-ペンタアザシクロテトラトリアコンタン-6,10,12,14,16,23,30-ヘプタエン-2,5,22,29-テトラオン
2-{[(12S,19S,29S)-9,12,19,23-テトラメチル-14,21,28,31-テトラオキソ-29-(プロパン-2-イル)-10,24-ジオキサ-17,34-ジチア-6,13,20,27,30,35,36,37,38-ノナアザヘキサシクロ[30.2.1.18,11 .115,18 .122,25 .02,7 ]オクタトリアコンタ-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-ウンデカエン-5-イル]ホルムアミド}プロパ-2-エンアミド
2-{[(12S,19S,29S)-9,12,19,23-tetramethyl-14,21,28,31-tetraoxo-29-(propan-2-yl)-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.18,11 .115,18 .122,25 .02,7 ]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]formamido}prop-2-enamide
Other name (3):
(3S)-3α-Isopropyl-13-(1-carbamoylethenylcarbamoyl)-17,20α,27α,31-tetramethyl-6,9:16,19:23,26:30,33-tetranitrilo-10,15-cyclo-18,32-dioxa-8,25-dithia-1,4,14,21,28-pentaazacyclotetratriacontane-6,10,12,14,16,23,30-heptene-2,5,22,29-tetrone
プロモチオシンA
Promothiocin A
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