Chem
J-GLOBAL ID：200907002614821445   Nikkaji number：J588.501I

N2-L-Tyr-Cyclo(D-Orn*-L-βNal-D-Pro-Gly-)

N2-L-Tyr-シクロ(D-Orn*-L-βNal-D-Pro-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： C34H40N6O6
Molecular formula furigana： C34-H40-N6-O6
Molecular weight： 628.730
InChI： InChI=1S/C34H40N6O6/c35-26(18-21-10-13-25(41)14-11-21)31(43)38-27-7-3-15-36-30(42)20-37-33(45)29-8-4-16-40(29)34(46)28(39-32(27)44)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,41H,3-4,7-8,15-16,18-20,35H2,(H,36,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27+,28-,29+/m0/s1
InChI key： SLXJQGKPHAGFLG-ICYKMPLBSA-N
SMILES： N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCNC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Systematic name  (3)：
  • N2-L-Tyr-シクロ(D-Orn*-L-βNal-D-Pro-Gly-)
  • (2S)-N-[(9R,12S,17aR)-12-[(ナフタレン-2-イル)メチル]-1,4,10,13-テトラオキソ-ヘキサデカヒドロ-1H-ピロロ[1,2-d]1,4,7,10-テトラアザシクロペンタデカン-9-イル]-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド
  • (2S)-N-[(9R,12S,17aR)-12-[(naphthalen-2-yl)methyl]-1,4,10,13-tetraoxo-hexadecahydro-1H-pyrrolo[1,2-d]1,4,7,10-tetraazacyclopentadecan-9-yl]-2-amino-3-(4-hydroxyphenyl)propanamide
Other name (1)：
  • N2-L-Tyr-Cyclo(D-Orn*-L-βNal-D-Pro-Gly-)
Thsaurus map：
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