Chem
J-GLOBAL ID:200907048261924504   Nikkaji number:J985.552A

(7R)-3-[[2,4-Bis(amidinothiomethyl)phenyl]thio]-7-[[[(2-guanidinoethyl)thio]acetyl]amino]cepham-3-ene-4-carboxylic acid

(7R)-3-[[2,4-ビス(アミジノチオメチル)フェニル]チオ]-7-[[[(2-グアニジノエチル)チオ]アセチル]アミノ]セファム-3-エン-4-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: C22H29N9O4S5
Molecular formula furigana: C22-H29-N9-O4-S5
Molecular weight: 643.830
InChI: InChI=1S/C22H29N9O4S5/c23-20(24)29-3-4-36-9-14(32)30-15-17(33)31-16(19(34)35)13(8-37-18(15)31)40-12-2-1-10(6-38-21(25)26)5-11(12)7-39-22(27)28/h1-2,5,15,18H,3-4,6-9H2,(H3,25,26)(H3,27,28)(H,30,32)(H,34,35)(H4,23,24,29)/t15-,18-/m1/s1
InChI key: DZXQCBQZEARACL-CRAIPNDOSA-N
SMILES: NC(=N)NCCSCC(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Sc1ccc(CSC(=N)N)cc1CSC(=N)N
Systematic name  (3):
  • (7R)-3-[[2,4-ビス(アミジノチオメチル)フェニル]チオ]-7-[[[(2-グアニジノエチル)チオ]アセチル]アミノ]セファム-3-エン-4-カルボン酸
  • (6R,7R)-3-({2,4-ビス[(カルバムイミドイルスルファニル)メチル]フェニル}スルファニル)-7-{2-[(2-カルバムイミドアミドエチル)スルファニル]アセトアミド}-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボン酸
  • (6R,7R)-3-({2,4-bis[(carbamimidoylsulfanyl)methyl]phenyl}sulfanyl)-7-{2-[(2-carbamimidamidoethyl)sulfanyl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Other name (1):
  • (7R)-3-[[2,4-Bis(amidinothiomethyl)phenyl]thio]-7-[[[(2-guanidinoethyl)thio]acetyl]amino]cepham-3-ene-4-carboxylic acid
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