Chem
J-GLOBAL ID:200907049816447720   Nikkaji number:J1.696.230I

3-Isopropylcyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Ile-N-methyl-L-Ala-(3-14C)βAla-]

3-イソプロピルシクロ[D-Lac-L-Pro-L-Ile-N-メチル-L-Ile-N-メチル-L-Ala-(3-14C)βAla-]
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: C30[14C]H53N5O7
Molecular formula furigana: C31-H53-N5-O7
Molecular weight: 609.785
InChI: InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20-,21-,22-,23+,25-,26?/m0/s1/i15+2
InChI key: WWALEZSSEHJILM-XWFDXEBTSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)C[14CH2]NC(=O)[C@H](C)N(C)C(=O)C([C@@H](C)CC)N(C)C1=O
Systematic name  (3):
  • 3-イソプロピルシクロ[D-Lac-L-Pro-L-Ile-N-メチル-L-Ile-N-メチル-L-Ala-(3-14C)βAla-]
  • (3S,6S,9S,16R,21aS)-3,6-ビス[(2S)-ブタン-2-イル]-5,8,9-トリメチル-16-(2-メチルプロピル)-イコサヒドロ(12-14C)ピロロ[1,2-d]1-オキサ-4,7,10,13,16-ペンタアザシクロノナデカン-1,4,7,10,14,17-ヘキサオン
  • (3S,6S,9S,16R,21aS)-3,6-bis[(2S)-butan-2-yl]-5,8,9-trimethyl-16-(2-methylpropyl)-icosahydro(12-14C)pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-1,4,7,10,14,17-hexone
Other name (1):
  • 3-Isopropylcyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Ile-N-methyl-L-Ala-(3-14C)βAla-]
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