Chem
J-GLOBAL ID:200907017134839716
Nikkaji number:J2.404.994I
N-[α-Oxo-4-(difluorophosphonomethyl)phenethyl]-L-Phe-4-(difluorophosphonomethyl)-L-Phe-NH2
N-[α-オキソ-4-(ジフルオロホスホノメチル)フェネチル]-L-Phe-4-(ジフルオロホスホノメチル)-L-Phe-NH2
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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:
C28 H29 F4 N3 O9 P2
Molecular formula furigana:
C28-H29-F4-N3-O9-P2
Molecular weight:
689.493
InChI:
InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
InChI key:
LGZYIQKUXWAUAL-GOTSBHOMSA-N
SMILES:
NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(=O)(O)O
Systematic name (3):
N-[α-オキソ-4-(ジフルオロホスホノメチル)フェネチル]-L-Phe-4-(ジフルオロホスホノメチル)-L-Phe-NH2
({4-[(2S)-2-カルバモイル-2-[(2S)-2-(2-{4-[ジフルオロ(ホスホノ)メチル]フェニル}アセトアミド)-3-フェニルプロパンアミド]エチル]フェニル}ジフルオロメチル)ホスホン酸
({4-[(2S)-2-carbamoyl-2-[(2S)-2-(2-{4-[difluoro(phosphono)methyl]phenyl}acetamido)-3-phenylpropanamido]ethyl]phenyl}difluoromethyl)phosphonic acid
Other name (1):
N-[α-Oxo-4-(difluorophosphonomethyl)phenethyl]-L-Phe-4-(difluorophosphonomethyl)-L-Phe-NH2
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