Chem
J-GLOBAL ID：201207071718494087
Nikkaji number：J3.047.532A
Cyclo(L-Pro-βAla-L-Orn-βAla-D-Phe-L-Pro-βAla-L-Orn-βAla-D-Phe-)
シクロ(L-Pro-βAla-L-Orn-βAla-D-Phe-L-Pro-βAla-L-Orn-βAla-D-Phe-)
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
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
Molecular formula： C50H72N12O10
Molecular formula furigana： C50-H72-N12-O10
Molecular weight： 1001.200
InChI：
InChI=1S/C50H72N12O10/c51-23-7-15-35-45(67)53-25-19-43(65)59-37(31-33-11-3-1-4-12-33)49(71)61-29-9-17-39(61)47(69)55-27-21-41(63)58-36(16-8-24-52)46(68)54-26-20-44(66)60-38(32-34-13-5-2-6-14-34)50(72)62-30-10-18-40(62)48(70)56-28-22-42(64)57-35/h1-6,11-14,35-40H,7-10,15-32,51-52H2,(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,64)(H,58,63)(H,59,65)(H,60,66)/t35-,36-,37+,38+,39-,40-/m0/s1
InChI key：
ZTDASIPNKNKHMC-PHANLHFBSA-N
SMILES：
NCCC[C@@H]1NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CCNC(=O)[C@H](CCCN)NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)CCNC1=O
Systematic name (3)：
- シクロ(L-Pro-βAla-L-Orn-βAla-D-Phe-L-Pro-βAla-L-Orn-βAla-D-Phe-)
- (3R,10S,17S,23R,30S,37S)-10,30-ビス(3-アミノプロピル)-3,23-ジベンジル-1,4,8,11,15,21,24,28,31,35-デカアザトリシクロ[35.3.0.017,21]テトラコンタン-2,5,9,12,16,22,25,29,32,36-デカオン
- (3R,10S,17S,23R,30S,37S)-10,30-bis(3-aminopropyl)-3,23-dibenzyl-1,4,8,11,15,21,24,28,31,35-decaazatricyclo[35.3.0.017,21]tetracontane-2,5,9,12,16,22,25,29,32,36-decone
- Cyclo(L-Pro-βAla-L-Orn-βAla-D-Phe-L-Pro-βAla-L-Orn-βAla-D-Phe-)
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