Chem
J-GLOBAL ID:202007012341594738
Nikkaji number:J3.749.240J
(R,S,S,S)-Erythrochelin
(R,S,S,S)-エリトロケリン
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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:
C24 H41 N7 O11
Molecular formula furigana:
C24-H41-N7-O11
Molecular weight:
603.630
InChI:
InChI=1S/C24H41N7O11/c1-14(33)25-17(7-4-10-29(40)15(2)34)21(36)28-20(13-32)24(39)31(42)12-6-9-19-23(38)26-18(22(37)27-19)8-5-11-30(41)16(3)35/h17-20,32,40-42H,4-13H2,1-3H3,(H,25,33)(H,26,38)(H,27,37)(H,28,36)/t17-,18+,19+,20+/m1/s1
InChI key:
OHIZVXAYPZKILQ-FYQPLNBISA-N
SMILES:
C(=O)([C@@H](CCCN(O)C(=O)C)NC(=O)C)N[C@@H](CO)C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(O)C(=O)C)O
Systematic name (3):
(R)-N-[(S)-1-[ヒドロキシ[3-[(2S,5S)-3,6-ジオキソ-5-[3-(アセチルヒドロキシアミノ)プロピル]ピペラジン-2-イル]プロピル]カルバモイル]-2-ヒドロキシエチル]-2-(アセチルアミノ)-5-(アセチルヒドロキシアミノ)ペンタンアミド
(2R)-2-アセトアミド-N-[(1S)-2-ヒドロキシ-1-[ヒドロキシ({3-[(2S,5S)-5-[3-(N-ヒドロキシアセトアミド)プロピル]-3,6-ジオキソピペラジン-2-イル]プロピル})カルバモイル]エチル]-5-(N-ヒドロキシアセトアミド)ペンタンアミド
(2R)-2-acetamido-N-[(1S)-2-hydroxy-1-[hydroxy({3-[(2S,5S)-5-[3-(N-hydroxyacetamido)propyl]-3,6-dioxopiperazin-2-yl]propyl})carbamoyl]ethyl]-5-(N-hydroxyacetamido)pentanamide
Other name (2):
(R,S,S,S)-エリトロケリン
(R,S,S,S)-Erythrochelin
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