Chem
J-GLOBAL ID:201007086658036842
Nikkaji number:J2.851.853F
N-[(S)-2-(L-Arginylamino)-3-(3-fluoro-4-hydroxyphenyl)propanoyl]-L-phenylalanine
N-[(S)-2-(L-アルギニルアミノ)-3-(3-フルオロ-4-ヒドロキシフェニル)プロパノイル]-L-フェニルアラニン
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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 H31 FN6 O5
Molecular formula furigana:
C24-H31-F-N6-O5
Molecular weight:
502.547
InChI:
InChI=1S/C24H31FN6O5/c25-16-11-15(8-9-20(16)32)13-18(30-21(33)17(26)7-4-10-29-24(27)28)22(34)31-19(23(35)36)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,17-19,32H,4,7,10,12-13,26H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t17-,18-,19-/m0/s1
InChI key:
DMLCKTIATLHSAO-FHWLQOOXSA-N
SMILES:
N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name (3):
N-[(S)-2-(L-アルギニルアミノ)-3-(3-フルオロ-4-ヒドロキシフェニル)プロパノイル]-L-フェニルアラニン
(2S)-2-[(2S)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-3-(3-フルオロ-4-ヒドロキシフェニル)プロパンアミド]-3-フェニルプロパン酸
(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(3-fluoro-4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid
Other name (1):
N-[(S)-2-(L-Arginylamino)-3-(3-fluoro-4-hydroxyphenyl)propanoyl]-L-phenylalanine
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