Chem
J-GLOBAL ID：200907020086006023
Nikkaji number：J998.609J
XV-459
XV-459
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
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
Molecular formula： C20H27N5O6
Molecular formula furigana： C20-H27-N5-O6
Molecular weight： 433.465
InChI：
InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1
InChI key：
SRRJCHGGTPFZSS-ZBFHGGJFSA-N
SMILES：
CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(=N)N)C(=O)O
Systematic name (4)：
- (2S)-3-[[[[(5R)-4,5-ジヒドロ-3-(4-アミジノフェニル)イソオキサゾール]-5-イル]アセチル]アミノ]-2-[(ブトキシカルボニル)アミノ]プロパン酸
- (2S)-2-(ブトキシカルボニルアミノ)-3-[[(5R)-3-(4-アミジノフェニル)-2-イソオキサゾリン-5-イル]アセチルアミノ]プロピオン酸
- (2S)-2-[(ブトキシカルボニル)アミノ]-3-{2-[(5R)-3-(4-カルバムイミドイルフェニル)-4,5-ジヒドロ-1,2-オキサゾール-5-イル]アセトアミド}プロパン酸
- (2S)-2-[(butoxycarbonyl)amino]-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}propanoic acid
- (2S)-3-[[[[(5R)-4,5-Dihydro-3-(4-amidinophenyl)isoxazole]-5-yl]acetyl]amino]-2-[(butoxycarbonyl)amino]propanoic acid
- XV-459
- (2S)-2-(Butoxycarbonylamino)-3-[[(5R)-3-(4-amidinophenyl)-2-isoxazoline-5-yl]acetylamino]propionic acid
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