Chem
J-GLOBAL ID：201207060560889770   Nikkaji number：J3.066.057I

(4S)-4-(Pentanoylamino)-1-[3,5-bis(2-pyridinyl)phenyl]-16-aminohexadecane-5-one

(4S)-4-(ペンタノイルアミノ)-1-[3,5-ビス(2-ピリジニル)フェニル]-16-アミノヘキサデカン-5-オン
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： C37H52N4O2
Molecular formula furigana： C37-H52-N4-O2
Molecular weight： 584.849
InChI： InChI=1S/C37H52N4O2/c1-2-3-23-37(43)41-35(36(42)22-11-9-7-5-4-6-8-10-14-24-38)21-17-18-30-27-31(33-19-12-15-25-39-33)29-32(28-30)34-20-13-16-26-40-34/h12-13,15-16,19-20,25-29,35H,2-11,14,17-18,21-24,38H2,1H3,(H,41,43)/t35-/m0/s1
InChI key： CWYJMLADJNJSTH-DHUJRADRSA-N
SMILES： CCCCC(=O)N[C@@H](CCCc1cc(cc(c1)c1ccccn1)c1ccccn1)C(=O)CCCCCCCCCCCN
Systematic name  (3)：
  • (4S)-4-(ペンタノイルアミノ)-1-[3,5-ビス(2-ピリジニル)フェニル]-16-アミノヘキサデカン-5-オン
  • N-[(4S)-16-アミノ-1-[3,5-ビス(ピリジン-2-イル)フェニル]-5-オキソヘキサデカン-4-イル]ペンタンアミド
  • N-[(4S)-16-amino-1-[3,5-bis(pyridin-2-yl)phenyl]-5-oxohexadecan-4-yl]pentanamide
Other name (1)：
  • (4S)-4-(Pentanoylamino)-1-[3,5-bis(2-pyridinyl)phenyl]-16-aminohexadecane-5-one
Thsaurus map：
Thesaurus Map

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