2R, 3R- dioxeto-Cyclo-(L-Trp-L-Phe)

AlkaPlorer ID: AK327017

Synonym: None

IUPAC Name: (3S,6S)-3-[[(2aR)-2a,3-dihydrodioxeto[3,4-b]indol-7b-yl]methyl]-6-benzylpiperazine-2,5-dione

Structure

SMILES: OC1=N[C@@H](CC23OO[C@H]2NC2=CC=CC=C23)C(O)=N[C@H]1CC1=CC=CC=C1

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InChI: InChI=1S/C20H19N3O4/c24-17-15(10-12-6-2-1-3-7-12)21-18(25)16(22-17)11-20-13-8-4-5-9-14(13)23-19(20)26-27-20/h1-9,15-16,19,23H,10-11H2,(H,21,25)(H,22,24)/t15-,16-,19+,20?/m0/s1

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InChIKey: XUBXAEDFVKDGRD-CAHGDOEDSA-N

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Source

Properties Information

Molecule Weight: 365.3890000000001

TPSA: 95.67000000000002

MolLogP: 2.891900000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information