Chem
J-GLOBAL ID：201407095978873317   Nikkaji number：J3.284.871K

(1S)-5β-(1-Ethylpropoxy)-6α-(acetylamino)-2′-amino-4′-oxospiro[2-cyclohexene-1,5′-[2]thiazoline]-3-carboxylic acid

(1S)-5β-(1-エチルプロポキシ)-6α-(アセチルアミノ)-2′-アミノ-4′-オキソスピロ[2-シクロヘキセン-1,5′-[2]チアゾリン]-3-カルボン酸
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： C16H23N3O5S
Molecular formula furigana： C16-H23-N3-O5-S
Molecular weight： 369.440
InChI： InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16+/m1/s1
InChI key： YPLGHUGDNRYXJS-WQGACYEGSA-N
SMILES： CCC(CC)O[C@@H]1CC(=C[C@]2(SC(=NC2=O)N)[C@H]1NC(=O)C)C(=O)O
Systematic name  (3)：
  • (1S)-5β-(1-エチルプロポキシ)-6α-(アセチルアミノ)-2′-アミノ-4′-オキソスピロ[2-シクロヘキセン-1,5′-[2]チアゾリン]-3-カルボン酸
  • (5S,9R,10S)-2-アミノ-10-アセトアミド-4-オキソ-9-(ペンタン-3-イルオキシ)-1-チア-3-アザスピロ[4.5]デカ-2,6-ジエン-7-カルボン酸
  • (5S,9R,10S)-2-amino-10-acetamido-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid
Other name (1)：
  • (1S)-5β-(1-Ethylpropoxy)-6α-(acetylamino)-2′-amino-4′-oxospiro[2-cyclohexene-1,5′-[2]thiazoline]-3-carboxylic acid
Thsaurus map：
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