Name: Name:(2E,4E,6E)-N-[(3S,6S,9S)-3,7-dimethyl-6-(1-methylethyl)-2,5,8-trioxo-1,4,7-triazacyclododec-9-yl]-2,4,6-octatrienamide
Brand: AABLOCKS
SKU: AA01EPT8
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01EPT8

Chemical Name: (2E,4E,6E)-N-[(3S,6S,9S)-3,7-dimethyl-6-(1-methylethyl)-2,5,8-trioxo-1,4,7-triazacyclododec-9-yl]-2,4,6-octatrienamide

CAS Number: 1198588-57-6

Molecular Formula: C22H34N4O4

Molecular Weight: 418.5298

SMILES: C/C=C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)C(C)C)C

Properties

Complexity: 712

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 3

Defined Bond Stereocenter Count: 3

Formal Charge: 0

Heavy Atom Count: 30

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.2

Literature fold

Title: Cyclic tripeptides from the halotolerant fungus Aspergillus sclerotiorum PT06-1.

Journal: Journal of natural products20100625

Title: JBIR-15, a new aspochracin derivative, isolated from a sponge-derived fungus, Aspergillus sclerotiorum Huber Sp080903f04.

Journal: Bioscience, biotechnology, and biochemistry20090801

1198588-57-6 | (2E,4E,6E)-N-[(3S,6S,9S)-3,7-dimethyl-6-(1-methylethyl)-2,5,8-trioxo-1,4,7-triazacyclododec-9-yl]-2,4,6-octatrienamide