Chem
J-GLOBAL ID：200907031795723920   Nikkaji number：J1.900.530E

(2S,5R,6S,7Z,14S,18R)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-18-(7-methoxy-4-quinolyloxy)-1,4-diazacyclopentadeca-7-ene-5-carboxylic acid

(2S,5R,6S,7Z,14S,18R)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-18-(7-メトキシ-4-キノリルオキシ)-1,4-ジアザシクロペンタデカ-7-エン-5-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： C33H42N4O8
Molecular formula furigana： C33-H42-N4-O8
Molecular weight： 622.719
InChI： InChI=1S/C33H42N4O8/c1-32(2,3)45-31(42)35-24-11-9-7-5-6-8-10-20-18-33(20,30(40)41)36-28(38)26-17-22(19-37(26)29(24)39)44-27-14-15-34-25-16-21(43-4)12-13-23(25)27/h8,10,12-16,20,22,24,26H,5-7,9,11,17-19H2,1-4H3,(H,35,42)(H,36,38)(H,40,41)/b10-8-/t20-,22-,24+,26+,33-/m1/s1
InChI key： NKBBQMKXBXDZTM-RHBYLHKYSA-N
SMILES： COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC/C=C\[C@@H]3C[C@]3(NC4=O)C(=O)O)NC(=O)OC(C)(C)C)ccnc2c1
Systematic name  (3)：
  • (2S,5R,6S,7Z,14S,18R)-1,2-プロパノ-5,6-メタノ-3,15-ジオキソ-14-(tert-ブチルオキシカルボニルアミノ)-18-(7-メトキシ-4-キノリルオキシ)-1,4-ジアザシクロペンタデカ-7-エン-5-カルボン酸
  • (1S,4R,6S,7Z,14S,18R)-14-{[(tert-ブトキシ)カルボニル]アミノ}-18-[(7-メトキシキノリン-4-イル)オキシ]-2,15-ジオキソ-3,16-ジアザトリシクロ[14.3.0.04,6]ノナデカ-7-エン-4-カルボン酸
  • (1S,4R,6S,7Z,14S,18R)-14-{[(tert-butoxy)carbonyl]amino}-18-[(7-methoxyquinolin-4-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
Other name (1)：
  • (2S,5R,6S,7Z,14S,18R)-1,2-Propano-5,6-methano-3,15-dioxo-14-(tert-butyloxycarbonylamino)-18-(7-methoxy-4-quinolyloxy)-1,4-diazacyclopentadeca-7-ene-5-carboxylic acid
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