Chem
J-GLOBAL ID：200907093375259077   Nikkaji number：J2.390.881F

N-[α-Oxo-4-[(3-oxo-4-isothiazoline 1,1-dioxide)-5-yl]phenethyl]-L-Phe-4-[(3-oxo-4-isothiazoline 1,1-dioxide)-5-yl]-L-Phe-NH2 ester

N-[α-オキソ-4-[(3-オキソ-4-イソチアゾリン1,1-ジオキシド)-5-イル]フェネチル]-L-Phe-4-[(3-オキソ-4-イソチアゾリン1,1-ジオキシド)-5-イル]-L-Phe-NH2
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： C32H29N5O5[O-]4[S+2]2
Molecular formula furigana： C32-H29-N5-O9-S2
Molecular weight： 691.730
InChI： InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1
InChI key： UFODMKCMIALWNE-DQEYMECFSA-N
SMILES： NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)N[S+2]1([O-])[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)N[S+2]1([O-])[O-]
Systematic name  (3)：
  • N-[α-オキソ-4-[(3-オキソ-4-イソチアゾリン1,1-ジオキシド)-5-イル]フェネチル]-L-Phe-4-[(3-オキソ-4-イソチアゾリン1,1-ジオキシド)-5-イル]-L-Phe-NH2
  • 5-{4-[(2S)-2-カルバモイル-2-[(2S)-2-{2-[4-(1,1-ジオキシド-3-オキソ-2,3-ジヒドロ-1H-1,2-チアゾール-1,1-ジイウム-5-イル)フェニル]アセトアミド}-3-フェニルプロパンアミド]エチル]フェニル}-3-オキソ-2,3-ジヒドロ-1H-1,2-チアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • 5-{4-[(2S)-2-carbamoyl-2-[(2S)-2-{2-[4-(1,1-dioxido-3-oxo-2,3-dihydro-1H-1,2-thiazole-1,1-diium-5-yl)phenyl]acetamido}-3-phenylpropanamido]ethyl]phenyl}-3-oxo-2,3-dihydro-1H-1,2-thiazole-1,1-diium-1,1-bis(olate)
Other name (1)：
  • N-[α-Oxo-4-[(3-oxo-4-isothiazoline 1,1-dioxide)-5-yl]phenethyl]-L-Phe-4-[(3-oxo-4-isothiazoline 1,1-dioxide)-5-yl]-L-Phe-NH2 ester
Thsaurus map：
Thesaurus Map

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