Chem
J-GLOBAL ID：200907002160450587   Nikkaji number：J1.002.603B

N-Butylcyclo(L-Thr*-D-Abu-L-Pro-N-methyl-4-(dimethylamino)-L-Phe-4-oxo-L-2-piperidinecarbonyl-L-phenyl Gly-)

N-ブチルシクロ(L-Thr*-D-Abu-L-Pro-N-メチル-4-(ジメチルアミノ)-L-Phe-4-オキソ-L-2-ピペリジンカルボニル-L-フェニルGly-)
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： C43H59N7O8
Molecular formula furigana： C43-H59-N7-O8
Molecular weight： 801.986
InChI： InChI=1S/C43H59N7O8/c1-7-9-22-44-36-27(3)58-43(57)37(29-14-11-10-12-15-29)46-38(52)34-26-31(51)21-24-50(34)42(56)35(25-28-17-19-30(20-18-28)47(4)5)48(6)41(55)33-16-13-23-49(33)40(54)32(8-2)45-39(36)53/h10-12,14-15,17-20,27,32-37,44H,7-9,13,16,21-26H2,1-6H3,(H,45,53)(H,46,52)/t27-,32-,33+,34+,35+,36+,37+/m1/s1
InChI key： FCVLEOWLHYXAQJ-YGPHRYKBSA-N
SMILES： CCCCN[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(cc2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)NC1=O)c1ccccc1
Systematic name  (3)：
  • N-ブチルシクロ(L-Thr*-D-Abu-L-Pro-N-メチル-4-(ジメチルアミノ)-L-Phe-4-オキソ-L-2-ピペリジンカルボニル-L-フェニルGly-)
  • (3S,6S,12R,15S,16R,19S,22S)-15-(ブチルアミノ)-3-{[4-(ジメチルアミノ)フェニル]メチル}-12-エチル-4,16-ジメチル-19-フェニル-17-オキサ-1,4,10,13,20-ペンタアザトリシクロ[20.4.0.06,10]ヘキサコサン-2,5,11,14,18,21,24-ヘプタオン
  • (3S,6S,12R,15S,16R,19S,22S)-15-(butylamino)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.06,10]hexacosane-2,5,11,14,18,21,24-heptone
Other name (1)：
  • N-Butylcyclo(L-Thr*-D-Abu-L-Pro-N-methyl-4-(dimethylamino)-L-Phe-4-oxo-L-2-piperidinecarbonyl-L-phenyl Gly-)
Thsaurus map：
Thesaurus Map

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