Chem
J-GLOBAL ID:200907011938410439
Nikkaji number:J927.912A
Resormycin
レソルマイシン
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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:
C21 H31 ClN4 O7
Molecular formula furigana:
C21-H31-CL-N4-O7
Molecular weight:
486.950
InChI:
InChI=1S/C21H31ClN4O7/c1-21(2,33)18(26-16(29)10-12(24)5-3-4-6-23)19(30)25-13(20(31)32)7-11-8-14(27)17(22)15(28)9-11/h7-9,12,18,27-28,33H,3-6,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32)/b13-7+/t12-,18+/m0/s1
InChI key:
LGIARSLOMQCKGX-OEPJCBCFSA-N
SMILES:
CC(C)(O)[C@H](NC(=O)C[C@@H](N)CCCCN)C(=O)N/C(=C/c1cc(O)c(Cl)c(O)c1)/C(=O)O
Systematic name (3):
α-[N-[(S)-3,7-ジアミノヘプタノイル]-3-ヒドロキシ-L-バリルアミノ]-3,5-ジヒドロキシ-4-クロロ-cis-けい皮酸
(2E)-3-(4-クロロ-3,5-ジヒドロキシフェニル)-2-[(2S)-2-[(3S)-3,7-ジアミノヘプタンアミド]-3-ヒドロキシ-3-メチルブタンアミド]プロパ-2-エン酸
(2E)-3-(4-chloro-3,5-dihydroxyphenyl)-2-[(2S)-2-[(3S)-3,7-diaminoheptanamido]-3-hydroxy-3-methylbutanamido]prop-2-enoic acid
Other name (3):
レソルマイシン
Resormycin
α-[N-[(S)-3,7-Diaminoheptanoyl]-3-hydroxy-L-valylamino]-3,5-dihydroxy-4-chloro-cis-cinnamic acid
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