Chem
J-GLOBAL ID:200907050800117949   Nikkaji number:J1.181.894C

2-[[(S)-2-(D-Phenylalanyl-L-prolylamino)-6-aminohexyl]amino]thiazole-4-carboxylic acid ethyl ester

2-[[(S)-2-(D-フェニルアラニル-L-プロリルアミノ)-6-アミノヘキシル]アミノ]チアゾール-4-カルボン酸エチル
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: C26H38N6O4S
Molecular formula furigana: C26-H38-N6-O4-S
Molecular weight: 530.690
InChI: InChI=1S/C26H38N6O4S/c1-2-36-25(35)21-17-37-26(31-21)29-16-19(11-6-7-13-27)30-23(33)22-12-8-14-32(22)24(34)20(28)15-18-9-4-3-5-10-18/h3-5,9-10,17,19-20,22H,2,6-8,11-16,27-28H2,1H3,(H,29,31)(H,30,33)/t19-,20+,22-/m0/s1
InChI key: RTMQFHUHRLPACF-VWPQPMDRSA-N
SMILES: CCOC(=O)c1csc(NC[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)n1
Systematic name  (3):
  • 2-[[(S)-2-(D-フェニルアラニル-L-プロリルアミノ)-6-アミノヘキシル]アミノ]チアゾール-4-カルボン酸エチル
  • エチル 2-{[(2S)-6-アミノ-2-{[(2S)-1-[(2R)-2-アミノ-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}ヘキシル]アミノ}-1,3-チアゾール-4-カルボキシラート
  • ethyl 2-{[(2S)-6-amino-2-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}hexyl]amino}-1,3-thiazole-4-carboxylate
Other name (1):
  • 2-[[(S)-2-(D-Phenylalanyl-L-prolylamino)-6-aminohexyl]amino]thiazole-4-carboxylic acid ethyl ester
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