Chem
J-GLOBAL ID：200907029869105293   Nikkaji number：J435.258K

[(2R)-2-[N-(L-Isovalyl)valyl]amino-3-methylbutyl]phosphonic acid (1S)-2-phenyl-1-[[(1S)-1-methyl-2-oxo-2-[[(1S)-1-methoxycarbonylethyl]amino]ethyl]carbamoyl]ethyl ester

[(2R)-2-[N-(L-イソバリル)バリル]アミノ-3-メチルブチル]ホスホン酸(1S)-2-フェニル-1-[[(1S)-1-メチル-2-オキソ-2-[[(1S)-1-メトキシカルボニルエチル]アミノ]エチル]カルバモイル]エチル
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： C31H52N5O9P
Molecular formula furigana： C31-H52-N5-O9-P
Molecular weight： 669.757
InChI： InChI=1S/C31H52N5O9P/c1-10-31(8,32)30(41)36-25(19(4)5)28(39)35-23(18(2)3)17-46(42,43)45-24(16-22-14-12-11-13-15-22)27(38)33-20(6)26(37)34-21(7)29(40)44-9/h11-15,18-21,23-25H,10,16-17,32H2,1-9H3,(H,33,38)(H,34,37)(H,35,39)(H,36,41)(H,42,43)/t20-,21-,23-,24-,25-,31-/m0/s1
InChI key： WHUOIRHBRUCPCQ-FSLPYDMWSA-N
SMILES： CC[C@](C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CP(=O)(O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C(C)C
Systematic name  (3)：
  • [(2R)-2-[N-(L-イソバリル)バリル]アミノ-3-メチルブチル]ホスホン酸(1S)-2-フェニル-1-[[(1S)-1-メチル-2-オキソ-2-[[(1S)-1-メトキシカルボニルエチル]アミノ]エチル]カルバモイル]エチル
  • [(2R)-2-[(2S)-2-[(2S)-2-アミノ-2-メチルブタンアミド]-3-メチルブタンアミド]-3-メチルブチル][(1S)-1-{[(1S)-1-{[(2S)-1-メトキシ-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル}-2-フェニルエトキシ]ホスフィン酸
  • [(2R)-2-[(2S)-2-[(2S)-2-amino-2-methylbutanamido]-3-methylbutanamido]-3-methylbutyl][(1S)-1-{[(1S)-1-{[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-2-phenylethoxy]phosphinic acid
Other name (1)：
  • [(2R)-2-[N-(L-Isovalyl)valyl]amino-3-methylbutyl]phosphonic acid (1S)-2-phenyl-1-[[(1S)-1-methyl-2-oxo-2-[[(1S)-1-methoxycarbonylethyl]amino]ethyl]carbamoyl]ethyl ester
Thsaurus map：
Thesaurus Map

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