Chem
J-GLOBAL ID：200907096754782274   Nikkaji number：J1.749.614J

TAPI-1

TAPI-1
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： C25H35N5O5
Molecular formula furigana： C25-H35-N5-O5
Molecular weight： 485.585
InChI： InChI=1S/C25H35N5O5/c1-15(2)20(14-22(31)30-35)24(33)29-21(25(34)28-16(3)23(32)27-11-10-26)13-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,20-21,35H,10-11,13-14,26H2,1-3H3,(H,27,32)(H,28,34)(H,29,33)(H,30,31)/t16-,20+,21-/m0/s1
InChI key： AUNCMCQHEVPEDP-DQLDELGASA-N
SMILES： CC(C)[C@@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NCCN
Systematic name  (3)：
  • N-[(2R)-4-(ヒドロキシアミノ)-2-(1-メチルエチル)-1,4-ジオキソブチル]-3-(2-ナフタレニル)-L-Ala-L-Ala-(2-アミノエチル)NH2
  • (2R)-N-[(1S)-1-{[(1S)-1-[(2-アミノエチル)カルバモイル]エチル]カルバモイル}-2-(ナフタレン-2-イル)エチル]-N'-ヒドロキシ-2-(プロパン-2-イル)ブタンジアミド
  • (2R)-N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(propan-2-yl)butanediamide
Other name (2)：
  • N-[(2R)-4-(Hydroxyamino)-2-(1-methylethyl)-1,4-dioxobutyl]-3-(2-naphthalenyl)-L-Ala-L-Ala-(2-aminoethyl)NH2
  • TAPI-1
CAS registry number： 158703-29-8
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