Chem
J-GLOBAL ID:200907048455478670   Nikkaji number:J2.430.544I

N-[N-[N-[(2,6-Dimethylpiperidino)carbonyl]-4-methyl-L-Leu-]-1-(methoxycarbonyl)-D-Trp-]-D-Nle-OH

N-[N-[N-[(2,6-ジメチルピペリジノ)カルボニル]-4-メチル-L-Leu-]-1-(メトキシカルボニル)-D-Trp-]-D-Nle-OH
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: C34H51N5O7
Molecular formula furigana: C34-H51-N5-O7
Molecular weight: 641.810
InChI: InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21?,22?,25-,26-,27+/m1/s1
InChI key: LPAHKJMGDSJDRG-RJTBUBHNSA-N
SMILES: CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1C(C)CCCC1C)C(=O)O
Systematic name  (3):
  • N-[N-[N-[(2,6-ジメチルピペリジノ)カルボニル]-4-メチル-L-Leu-]-1-(メトキシカルボニル)-D-Trp-]-D-Nle-OH
  • (2R)-2-[(2R)-2-[(2S)-2-[(2,6-ジメチルピペリジン-1-カルボニル)アミノ]-4,4-ジメチルペンタンアミド]-3-[1-(メトキシカルボニル)-1H-インドール-3-イル]プロパンアミド]ヘキサン酸
  • (2R)-2-[(2R)-2-[(2S)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanamido]-3-[1-(methoxycarbonyl)-1H-indol-3-yl]propanamido]hexanoic acid
Other name (1):
  • N-[N-[N-[(2,6-Dimethylpiperidino)carbonyl]-4-methyl-L-Leu-]-1-(methoxycarbonyl)-D-Trp-]-D-Nle-OH
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