Chem
J-GLOBAL ID：201507023139321194   Nikkaji number：J3.353.185K

(2R,6R)-2-Amino-6-[[(R)-4-(L-alanylamino)-4-carboxybutyryl]amino]-2-benzyl-4-thiaheptanedioic acid

(2R,6R)-2-アミノ-6-[[(R)-4-(L-アラニルアミノ)-4-カルボキシブチリル]アミノ]-2-ベンジル-4-チアヘプタン二酸
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： C21H30N4O8S
Molecular formula furigana： C21-H30-N4-O8-S
Molecular weight： 498.550
InChI： InChI=1S/C21H30N4O8S/c1-12(22)17(27)25-14(18(28)29)7-8-16(26)24-15(19(30)31)10-34-11-21(23,20(32)33)9-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,22-23H2,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)(H,32,33)/t12-,14+,15-,21-/m0/s1
InChI key： UYAOIFYKHPRKIM-CUKHNGKTSA-N
SMILES： C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CSC[C@@](N)(Cc1ccccc1)C(=O)O)C(=O)O)C(=O)O
Systematic name  (3)：
  • (2R,6R)-2-アミノ-6-[[(R)-4-(L-アラニルアミノ)-4-カルボキシブチリル]アミノ]-2-ベンジル-4-チアヘプタン二酸
  • (2R)-4-{[(1R)-2-{[(2R)-2-アミノ-2-ベンジル-2-カルボキシエチル]スルファニル}-1-カルボキシエチル]カルバモイル}-2-[(2S)-2-アミノプロパンアミド]ブタン酸
  • (2R)-4-{[(1R)-2-{[(2R)-2-amino-2-benzyl-2-carboxyethyl]sulfanyl}-1-carboxyethyl]carbamoyl}-2-[(2S)-2-aminopropanamido]butanoic acid
Other name (1)：
  • (2R,6R)-2-Amino-6-[[(R)-4-(L-alanylamino)-4-carboxybutyryl]amino]-2-benzyl-4-thiaheptanedioic acid
Thsaurus map：
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