Chem
J-GLOBAL ID:201007096392183890
Nikkaji number:J2.806.286I
OA-6129B1
3-({2-[3-(2,4-ジヒドロキシ-3,3-ジメチルブタンアミド)プロパンアミド]エチル}スルファニル)-6-(1-ヒドロキシエチル)-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
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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:
C20 H31 N3 O8 S
Molecular formula furigana:
C20-H31-N3-O8-S
Molecular weight:
473.540
InChI:
InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)
InChI key:
HNLNYXRYILRJHY-UHFFFAOYSA-N
SMILES:
CC(O)C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
Systematic name (3):
3-[[2-[[3-[(2,4-ジヒドロキシ-3,3-ジメチルブチリル)アミノ]-プロパノイル]アミノ]エチル]チオ]-6-(1-ヒドロキシエチル)-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
3-({2-[3-(2,4-ジヒドロキシ-3,3-ジメチルブタンアミド)プロパンアミド]エチル}スルファニル)-6-(1-ヒドロキシエチル)-7-オキソ-1-アザビシクロ[3.2.0]ヘプタ-2-エン-2-カルボン酸
3-({2-[3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido]ethyl}sulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Other name (2):
3-[[2-[[3-[(2,4-Dihydroxy-3,3-dimethylbutyryl)amino]-propanoyl]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid
OA-6129B1
CAS registry number:
82510-13-2
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