CAS 17079-37-7 | 2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-methyl-, (3S,6S)- | CAS Number 17079-37-7

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17079-37-7 | 2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-methyl-, (3S,6S)-

CAS No: 17079-37-7 Catalog No: AG0078AU MDL No:

Product Description

Catalog Number:

AG0078AU

Chemical Name:

2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-methyl-, (3S,6S)-

CAS Number:

17079-37-7

Molecular Formula:

C14H15N3O2

Molecular Weight:

257.2878

IUPAC Name:

(3S,6S)-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione

InChI:

InChI=1S/C14H15N3O2/c1-8-13(18)17-12(14(19)16-8)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,19)(H,17,18)/t8-,12-/m0/s1

InChI Key:

VDMMFAOUINDEGC-UFBFGSQYSA-N

SMILES:

O=C1N[C@@H](C)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2

UNII:

MDH6MD059Z

Properties

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.293g/mol

Monoisotopic Mass:

257.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Isolation and characterization of new p-Terphenyls with antifungal, antibacterial, and antioxidant activities from halophilic actinomycete Nocardiopsis gilva YIM 90087.	Journal of agricultural and food chemistry 20130327
Prenylation at the indole ring leads to a significant increase of cytotoxicity of tryptophan-containing cyclic dipeptides.	Bioorganic & medicinal chemistry letters 20120615