CAS 175414-35-4 | 2,5-Piperazinedione, 3,6-bis(1H-indol-3-ylmethyl)-, (3R,6S)- | CAS Number 175414-35-4

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175414-35-4 | 2,5-Piperazinedione, 3,6-bis(1H-indol-3-ylmethyl)-, (3R,6S)-

CAS No: 175414-35-4 Catalog No: AG0020Z7 MDL No:

Product Description

Catalog Number:

AG0020Z7

Chemical Name:

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

CAS Number:

175414-35-4

Molecular Formula:

C22H20N4O2

Molecular Weight:

372.4198

IUPAC Name:

(3S,6R)-3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione

InChI:

InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20+

InChI Key:

DNHODRZUCGXYKU-BGYRXZFFSA-N

SMILES:

O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H]1Cc1c[nH]c2c1cccc2

Properties

Complexity:

559

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

372.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

372.428g/mol

Monoisotopic Mass:

372.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Eutypoids B-E produced by a Penicillium sp. strain from the North Sea.	Journal of natural products 20110128
Identification of Streptomyces sp. KH29, which produces an antibiotic substance processing an inhibitory activity against multidrug-resistant Acinetobacter baumannii.	Journal of microbiology and biotechnology 20101201