Chem
J-GLOBAL ID:201107053093006466   Nikkaji number:J2.970.205E

(4S)-2-[6-[2-Oxo-2-[5-[5-[5-[(1β,5β)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]octane-6α-yl]pentanoylamino]pentanoylamino]pentylamino]ethyl]benzothiazole-2-yl]-2-thiazoline-4β-carboxylic acid

(4S)-2-[6-[2-オキソ-2-[5-[5-[5-[(1β,5β)-3-オキソ-7-チア-2,4-ジアザビシクロ[3.3.0]オクタン-6α-イル]ペンタノイルアミノ]ペンタノイルアミノ]ペンチルアミノ]エチル]ベンゾチアゾール-2-イル]-2-チアゾリン-4β-カルボン酸
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: C33H45N7O6S3
Molecular formula furigana: C33-H45-N7-O6-S3
Molecular weight: 731.950
InChI: InChI=1S/C33H45N7O6S3/c41-26(9-3-2-8-24-29-22(18-47-24)39-33(46)40-29)35-15-7-4-10-27(42)34-13-5-1-6-14-36-28(43)17-20-11-12-21-25(16-20)49-31(37-21)30-38-23(19-48-30)32(44)45/h11-12,16,22-24,29H,1-10,13-15,17-19H2,(H,34,42)(H,35,41)(H,36,43)(H,44,45)(H2,39,40,46)/t22-,23+,24-,29-/m0/s1
InChI key: TXUHPDPBVXYCOZ-MVPDCNEZSA-N
SMILES: OC(=O)[C@H]1CSC(=N1)c1nc2ccc(CC(=O)NCCCCCNC(=O)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2s1
Systematic name  (3):
  • (4S)-2-[6-[2-オキソ-2-[5-[5-[5-[(1β,5β)-3-オキソ-7-チア-2,4-ジアザビシクロ[3.3.0]オクタン-6α-イル]ペンタノイルアミノ]ペンタノイルアミノ]ペンチルアミノ]エチル]ベンゾチアゾール-2-イル]-2-チアゾリン-4β-カルボン酸
  • (4S)-2-[6-({[5-(5-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}ペンタンアミド)ペンチル]カルバモイル}メチル)-1,3-ベンゾチアゾール-2-イル]-4,5-ジヒドロ-1,3-チアゾール-4-カルボン酸
  • (4S)-2-[6-({[5-(5-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}pentanamido)pentyl]carbamoyl}methyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Other name (1):
  • (4S)-2-[6-[2-Oxo-2-[5-[5-[5-[(1β,5β)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]octane-6α-yl]pentanoylamino]pentanoylamino]pentylamino]ethyl]benzothiazole-2-yl]-2-thiazoline-4β-carboxylic acid
Thsaurus map:

Return to Previous Page